Vitas-M small molecule compound
methyl 2-{[(2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK683459
SMILES COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C2c2ccccc2)C(=O)CC(C3)c2ccccc2)sc2c1CCCC2
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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 C33H32N2O4S MW 552.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O4S/c1-19-27(31(37)35-32-29(33(38)39-2)23-15-9-10-16-26(23)40-32)28(21-13-7-4-8-14-21)30-24(34-19)17-22(18-25(30)36)20-11-5-3-6-12-20/h3-8,11-14,22,28,34H,9-10,15-18H2,1-2H3,(H,35,37)InChIKey
MWALTHAZAACJAP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OCmethyl2(((2methyl5oxo47diphenyl145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2methyl5oxo47diphenyl4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
Registry IDs
MFCD05257885ZINC000098006099
ZINC000098006102
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