Organoheterocyclic compounds

1H-Benzotriazole, 99%, Alfa Aesar™

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole, benzotriazole, 1,2,3-benzotriazole, 1h-benzo d 1,2,3 triazole, azimidobenzene, 1h-1,2,3-benzotriazole, aziminobenzene, benztriazole, benzene azimide, benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

Alfa Aesar™ Nitrofurantoin, 98%

CAS: 67-20-9 Molecular Formula: C8H6N4O5 Molecular Weight (g/mol): 238.159 MDL Number: MFCD00003224 InChI Key: NXFQHRVNIOXGAQ-YCRREMRBSA-N Synonym: nitrofurantoin, macrodantin, 5-nitrofurantoin, furadantin, furadonine, nitrofurantoine, furadantine, furadantoin, furadoine, furadontin PubChem CID: 6604200 ChEBI: CHEBI:71415 IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione SMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

Thiochroman-4-one, ACROS Organics™

CAS: 3528-17-4 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.222 MDL Number: MFCD00006882 InChI Key: CVQSWZMJOGOPAV-UHFFFAOYSA-N Synonym: thiochroman-4-one, 4h-1-benzothiopyran-4-one, 2,3-dihydro, 2,3-dihydro-4h-thiochromen-4-one, 3,4-dihydro-2h-1-benzothiopyran-4-one, 4h-1-benzothiopyran-4-one,3-dihydro, 2,3-dihydro-1-benzothiopyran-4-one, 4-thiochromanone, thiochroman-4-on, 1-thiochroman-4-one, thiochroman-4-one PubChem CID: 19048 IUPAC Name: 2,3-dihydrothiochromen-4-one SMILES: C1CSC2=CC=CC=C2C1=O

2-Fluoropyridine, 98%, ACROS Organics™

CAS: 372-48-5 Molecular Formula: C5H4FN Molecular Weight (g/mol): 97.092 MDL Number: MFCD00006224 InChI Key: MTAODLNXWYIKSO-UHFFFAOYSA-N Synonym: pyridine, 2-fluoro, o-fluoropyridine, 2-fluoro-pyridine, pyridine, fluoro, ccris 1725, 2-fluoranylpyridine, fluoropyridine, 2fluoropyridine, 2-fluorpyridin, 2-fluoro-pyridinium PubChem CID: 9746 IUPAC Name: 2-fluoropyridine SMILES: C1=CC=NC(=C1)F

1,1'-Carbonyldiimidazole, 97%, Alfa Aesar™

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.152 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole, n,n'-carbonyldiimidazole, carbonyldiimidazole, di 1h-imidazol-1-yl methanone, n,n-carbonyldiimidazole, 1h-imidazole, 1,1'-carbonylbis, 1,1'-carbonylbis-1h-imidazole, carbonyl diimidazole, diimidazol-1-yl ketone, 1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: C1=CN(C=N1)C(=O)N2C=CN=C2

Alfa Aesar™ 1-(4-Pyridyl)piperazine, 97%

CAS: 1008-91-9 Molecular Formula: C9H13N3 Molecular Weight (g/mol): 163.224 MDL Number: MFCD00040745 InChI Key: OQZBAQXTXNIPRA-UHFFFAOYSA-N Synonym: 1-4-pyridyl piperazine, 1-pyridin-4-yl piperazine, 1-pyridin-4-yl-piperazine, 4-piperazinopyridine, 4-pyridylpiperazine, 1-4-pyridyl-piperazine, 4-1-piperazino pyridine, 1-4-pyridinyl piperazine, 1-4-pyridyl piperazine, piperazine, 1-4-pyridinyl PubChem CID: 70517 IUPAC Name: 1-pyridin-4-ylpiperazine SMILES: C1CN(CCN1)C2=CC=NC=C2

Imidazole (Certified), Fisher Chemical

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole, glyoxaline, imidazol, iminazole, miazole, 1,3-diazole, glyoxalin, imutex, 1,3-diaza-2,4-cyclopentadiene, pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: C1=CN=CN1

Alfa Aesar™ Methyl 4-(hydroxymethyl)pyridine-2-carboxylate, 95%

CAS: 317335-15-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09834350 InChI Key: WEIFQBALQLWZFZ-UHFFFAOYSA-N Synonym: methyl 4-hydroxymethyl picolinate, methyl 4-hydroxymethyl pyridine-2-carboxylate, methyl 4-hydroxymethyl-pyridine-2-carboxylate, 4-hydroxymethyl-2-pyridinecarboxylic acid methyl ester, 2-pyridinecarboxylic acid, 4-hydroxymethyl-, methyl ester, 2-pyridinecarboxylicacid,4-hydroxymethyl-,methylester 9ci, 2-methoxycarbonylpyridine-4-methanol, 4-hydroxymethyl-pyridine-2-carboxylic acid methyl, 4-hydroxymethylpyridin-2-carboxylic acid methyl ester, 4-hydroxymethyl pyridine-2-carboxylic acid methyl ester PubChem CID: 23093785 IUPAC Name: methyl 4-(hydroxymethyl)pyridine-2-carboxylate SMILES: COC(=O)C1=NC=CC(=C1)CO

Uracil, +99%, ACROS Organics™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil, 2,4-dihydroxypyrimidine, 2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 2,4-dioxopyrimidine, pyrimidine-2,4 1h,3h-dione, pirod, 2,4-pyrimidinedione, pyrod, hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

L-Nicotine, 99+%, ACROS Organics™

CAS: 54-11-5 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine, l-nicotine, --nicotine, s-nicotine, habitrol, s-3-1-methylpyrrolidin-2-yl pyridine, nicoderm, nicotrol, s---nicotine, nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine SMILES: CN1CCCC1C2=CN=CC=C2

beta-Propiolactone, 97%, Alfa Aesar™

CAS: 57-57-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.063 MDL Number: MFCD00005169 InChI Key: VEZXCJBBBCKRPI-UHFFFAOYSA-N Synonym: beta-propiolactone, propiolactone, 2-oxetanone, propanolide, betaprone, 3-propanolide, 1,3-propiolactone, 3-propiolactone, beta-propionolactone, beta-propiolakton PubChem CID: 2365 ChEBI: CHEBI:49073 IUPAC Name: oxetan-2-one SMILES: C1COC1=O

Coelenterazine, native, Aequorea sp., Alfa Aesar™

CAS: 55779-48-1 Molecular Formula: C26H21N3O3 Molecular Weight (g/mol): 423.472 MDL Number: MFCD00467176 InChI Key: YHIPILPTUVMWQT-UHFFFAOYSA-N Synonym: coelenterazine, oplophorus luciferin, unii-3o1cb88rrd, clzn, coelenterate luciferin, coelenterazine, native, 3o1cb88rrd, 8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one, 2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one, 3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one PubChem CID: 2830 ChEBI: CHEBI:2311 IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one SMILES: C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O

Meloxicam, 99-101%, Acros Organics™

CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.395 InChI Key: ZRVUJXDFFKFLMG-UHFFFAOYSA-N Synonym: meloxicam, mobic, metacam, movalis, meloxicamum, mobicox, mobec, meloxicam mobic, movatec, parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O

1,2-Epoxyhexane, 97%, ACROS Organics™

CAS: 1436-34-6 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00005154 InChI Key: WHNBDXQTMPYBAT-UHFFFAOYSA-N Synonym: 1,2-epoxyhexane, butyloxirane, oxirane, butyl, 1-hexene oxide, 1-hexene epoxide, 1,2-hexene oxide, epoxy-n-hexane, hexylene oxide, hexane, 1,2-epoxy, hexene, monooxide PubChem CID: 15036 IUPAC Name: 2-butyloxirane SMILES: CCCCC1CO1

Trimethylboroxine, 3.5M (50 wt.%) solution in THF, ACROS Organics™

CAS: 823-96-1 Molecular Formula: C3H9B3O3 Molecular Weight (g/mol): 125.532 MDL Number: MFCD00013354 InChI Key: GBBSAMQTQCPOBF-UHFFFAOYSA-N Synonym: trimethylboroxine, 2,4,6-trimethylboroxin, trimethylboroxin, boroxin, trimethyl, trimethyl-1,3,5,2,4,6-trioxatriborinane, trimethyboroxine, trimethyl boroxin, trimethylboroxaine, trimethyl boroxine, trimethyl-boroxine PubChem CID: 574072 IUPAC Name: 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane SMILES: B1(OB(OB(O1)C)C)C

1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Acros Organics™

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene, 2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine, 1,8-diazabicyclo 5.4.0 undec-7-ene, polycat dbu, dbu, unii-h1ilj6ibux, pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro, 1,8-diazabicyclo 5.4.0-7-undecene, h1ilj6ibux, 1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

D-Cycloserine, 98%, Acros Organics™

CAS: 68-41-7 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00005353 InChI Key: DYDCUQKUCUHJBH-UWTATZPHSA-N Synonym: d-cycloserine, cycloserine, seromycin, orientomycin, oxamycin, cyclorin, cyclo-d-serine, cicloserina, farmiserina, miroseryn PubChem CID: 6234 ChEBI: CHEBI:40009 IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one SMILES: C1C(C(=O)NO1)N

2-Methyltetrahydrofuran, For Grignard reaction, anhydrous, stabilized, ACROS Organics™

CAS: 96-47-9 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 InChI Key: JWUJQDFVADABEY-UHFFFAOYSA-N Synonym: 2-methyltetrahydrofuran, methyltetrahydrofuran, tetrahydrosylvan, tetrahydro-2-methylfuran, furan, tetrahydro-2-methyl, furan, 2-methyl-tetrahydro, 2-methyl tetrahydrofuran, 2-methyl-tetrahydrofuran, 2-methyl-tetrahydro-furan, methyl tetrahydrofuran PubChem CID: 7301 IUPAC Name: 2-methyloxolane SMILES: CC1CCCO1

Tetrahydrofuran (HPLC), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 109-99-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00005356 InChI Key: WYURNTSHIVDZCO-UHFFFAOYSA-N Synonym: tetrahydrofuran, furan, tetrahydro, butylene oxide, furanidine, hydrofuran, tetramethylene oxide, oxacyclopentane, 1,4-epoxybutane, tetrahydrofuranne, tetraidrofurano PubChem CID: 8028 ChEBI: CHEBI:26911 IUPAC Name: oxolane SMILES: C1CCOC1

Alfa Aesar™ Trichloroisocyanuric acid, 90+%

CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.401 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: trichloroisocyanuric acid, symclosene, trichlorocyanuric acid, symclosen, isocyanuric chloride, fichlor 91, trichloro-s-triazinetrione, trichloroisocyanic acid, fi clor 91, chloreal PubChem CID: 6909 ChEBI: CHEBI:33015 IUPAC Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione SMILES: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl

Alfa Aesar™ Borane-tetrahydrofuran complex, 1M soln. in THF, packaged under Argon in resealable ChemSeal™ bottles

CAS: 14044-65-6 Molecular Formula: C4H8BO Molecular Weight (g/mol): 82.917 MDL Number: MFCD00012429 InChI Key: UWTDFICHZKXYAC-UHFFFAOYSA-N Synonym: borane-tetrahydrofuran complex, tetrahydrofuran borane, bh3.thf, borane tetrahydrofuran complex solution, borane-d3-thf complex solution, borane-tetrahydrofuran, unii-5ear4err1l, oxolane borane, boron; oxolane, borane thf PubChem CID: 11062302 IUPAC Name: boron;oxolane SMILES: [B].C1CCOC1

Alfa Aesar™ 3-Oxetanone, 95%

CAS: 6704-31-0 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.063 MDL Number: MFCD09263255 InChI Key: ROADCYAOHVSOLQ-UHFFFAOYSA-N Synonym: 3-oxetanone, 1,3-epoxy-2-propanone, 3-oxooxetane, oxetane-3-one, oxetan-3-on, 1,3-epoxypropanone, pubchem15880, 3-oxentanone, acmc-209nxj, ksc358e8n PubChem CID: 15024254 IUPAC Name: oxetan-3-one SMILES: C1C(=O)CO1

L(-)-Tryptophan 99%, ACROS Organics™

CAS: 73-22-3 Molecular Formula: C11H12N2O2 Molecular Weight (g/mol): 204.229 MDL Number: MFCD00064340 InChI Key: QIVBCDIJIAJPQS-VIFPVBQESA-N Synonym: l-tryptophan, tryptophan, l-tryptophane, s-tryptophan, tryptophane, h-trp-oh, optimax, trofan, tryptacin, ardeytropin PubChem CID: 6305 ChEBI: CHEBI:16828 IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

4-Imidazoleacetic acid hydrochloride, 99%, ACROS Organics™

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.573 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride, 2-1h-imidazol-5-yl acetic acid hydrochloride, imidazole-4-acetic acid hydrochloride, 2-1h-imidazol-4-yl acetic acid hydrochloride, 4-imidazoleacetic acid hcl, imidazoleacetic acid hydrochloride, unii-et7a74roao, 4-imidazoleaceticacidhydrochloride, i4aa, et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: C1=C(NC=N1)CC(=O)O.Cl

Metronidazole, 99%, ACROS Organics™

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole, metronidazol, flagyl, 2-methyl-5-nitroimidazole-1-ethanol, anagiardil, trichazol, gineflavir, meronidal, metronidaz, novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

Bilirubin, Affymetrix/USB™

CAS: 635-65-4 Molecular Formula: C33H36N4O6 Molecular Weight (g/mol): 584.673 MDL Number: MFCD00005499 InChI Key: BPYKTIZUTYGOLE-IFADSCNNSA-N Synonym: bilirubin, hematoidin, hemetoidin, bilirubin ix-alpha, principal bile pigment, unii-rfm9x3lj49, bilirubin ixalpha, 21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo, rfm9x3lj49, biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl PubChem CID: 5280352 ChEBI: CHEBI:16990 IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C

Bis(pinacolato)diboron, 98%, ACROS Organics™

CAS: 73183-34-3 Molecular Formula: C12H24B2O4 Molecular Weight (g/mol): 253.94 MDL Number: MFCD00799570 InChI Key: IPWKHHSGDUIRAH-UHFFFAOYSA-N Synonym: bis pinacolato diboron, bis pinacolato diborane, 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane, pinacol diborane, diboron pinacol ester, b2pin2, 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane, bispinacolate diboron, unii-i906w26p4u PubChem CID: 2733548 IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C

Omeprazole, 98+%, Acros Organics™

CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.417 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYSA-N Synonym: omeprazole, losec, prilosec, antra, esomeprazole, omeprazon, audazol, omapren, omepral, parizac PubChem CID: 4594 ChEBI: CHEBI:77260 IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

Alfa Aesar™ Indole-3-carboxylic acid, 98%

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid, 3-indoleformic acid, 3-carboxyindole, indole-3-carboxylicacid, 3-indolecarboxylic acid, indole-3-carboxylate, 3-indolylcarboxylic acid, beta-indolylcarboxylic acid, indole-3 carboxylic acid, ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

Caffeine (Powder/USP/FCC), Fisher Chemical

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine, 1,3,7-trimethylxanthine, guaranine, thein, cafeina, methyltheobromine, koffein, mateina, theine, alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

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