Vitas-M small molecule compound

methyl 2-({[7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK683666
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)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 C34H34N2O5S MW 582.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O5S/c1-19-28(32(38)36-33-30(34(39)41-3)24-11-7-8-12-27(24)42-33)29(21-9-5-4-6-10-21)31-25(35-19)17-22(18-26(31)37)20-13-15-23(40-2)16-14-20/h4-6,9-10,13-16,22,29,35H,7-8,11-12,17-18H2,1-3H3,(H,36,38)
InChIKey
LFLVAYACCIXUOT-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)OC
InChI=1SC34H34N2O5Sc11928(32(38)363330(34(39)413)2411781227(24)4233)29(2195461021)3125(3519)1722(1826(31)37)20131523(402)161420h469101316222935H7811121718H213H3(H3638)
methyl2(((7(4methoxyphenyl)2methyl5oxo4phenyl145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((7(4methoxyphenyl)2methyl5oxo4phenyl4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05258498
ZINC000098006173
ZINC000098006176

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Available files

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