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Bisbentiamine, TRC

Product Code. 30132865
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2.5 g
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Product Code. 30132865 Supplier Toronto Research Chemicals Supplier No. TRCB411138250MG

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High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Chemical Identifiers

CAS 2667-89-2
Molecular Formula C38H42N8O6S2
Molecular Weight (g/mol) 770.92
Synonym N,N'-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-Formamide dibenzoate (ester) (8CI), N,N’-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-Formamide (9CI), N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]formamide, BTDS, Benzoylthiamine disulfide, Beprocin, Beston, Bis(O-benzoylthiamine) disulfide, O-Benzoylthiamine disulfide
IUPAC Name [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate
SMILES C\C(=C(\CCOC(=O)c1ccccc1)/SS\C(=C(/C)\N(Cc2cnc(C)nc2N)C=O)\CCOC(=O)c3ccccc3)\N(Cc4cnc(C)nc4N)C=O

Specifications

Quantity 250 mg
InChI Formula InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+
Formula Weight 770.2669
Percent Purity >95%
Chemical Name or Material Bisbentiamine
Grade HPLC
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