Vitas-M small molecule compound
propan-2-yl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK430544
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1cc(nc2c1cc(Br)cc2)c1cccc(c1)C
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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 C31H31BrN2O3S MW 591.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN2O3S/c1-5-19-9-11-22-27(14-19)38-30(28(22)31(36)37-17(2)3)34-29(35)24-16-26(20-8-6-7-18(4)13-20)33-25-12-10-21(32)15-23(24)25/h6-8,10,12-13,15-17,19H,5,9,11,14H2,1-4H3,(H,34,35)InChIKey
BBDHMYOXOCIPOI-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C
InChI=1SC31H31BrN2O3Sc15199112227(1419)3830(28(22)31(36)3717(2)3)3429(35)241626(2086718(4)1320)3325121021(32)1523(24)25h68101213151719H591114H214H3(H3435)
MFCD03465603
propan2yl2(((6bromo2(3methylphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2((6bromo2(3methylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002784925
ZINC000002784926
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