Vitas-M small molecule compound
2-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-11-phenyl-5,6,7,9-tetrahydrobenzo[9,10]heptaleno[3,2-b]furan-12-yl]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide
Catalog ID
STL589716
SMILES CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)Cc1c(oc2c1cc1c(cc2=O)[C@H](CCc2c1c(OC)c(c(c2)OC)OC)NC(=O)C)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C42H42N4O7S MW 746.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N4O7S/c1-23(47)43-30-16-15-25-19-35(50-2)40(51-3)41(52-4)37(25)27-20-28-29(38(24-11-7-6-8-12-24)53-39(28)34(48)21-26(27)30)22-36(49)44-33(17-18-54-5)42-45-31-13-9-10-14-32(31)46-42/h6-14,19-21,30,33H,15-18,22H2,1-5H3,(H,43,47)(H,44,49)(H,45InChIKey
PDCVBOWEAHPDTH-DITALETJSA-NSynonyms
2((7S)7(acetylamino)123trimethoxy9oxo11phenyl5679tetrahydrobenzo(910)heptaleno(32b)furan12yl)N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)acetamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)Cc1c(oc2c1cc1c(cc2=O)(C@H)(CCc2c1c(OC)c(c(c2)OC)OC)NC(=O)C)c1ccccc1
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)2((S)7acetamido123trimethoxy9oxo11phenyl5679tetrahydrobenzo(910)heptaleno(32b)furan12yl)acetamide
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