Vitas-M small molecule compound
5-[4-(benzyloxy)-3-ethoxyphenyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK905296
SMILES CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O
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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 C39H35N3O6S2 MW 705.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35N3O6S2/c1-4-46-32-20-27(14-17-31(32)47-21-25-8-6-5-7-9-25)34-33(35(43)28-15-16-30-29(19-28)18-24(3)48-30)36(44)37(45)42(34)38-40-41-39(50-38)49-22-26-12-10-23(2)11-13-26/h5-17,19-20,24,34,44H,4,18,21-22H2,1-3H3InChIKey
RHAHLGYFQJIMPY-UHFFFAOYSA-NSynonyms
5(4(benzyloxy)3ethoxyphenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(4(benzyloxy)3ethoxyphenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18065173
ZINC000097970095
ZINC000097970098
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