Vitas-M small molecule compound
methyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK430542
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)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 C29H27BrN2O3S MW 563.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O3S/c1-4-17-8-10-20-25(13-17)36-28(26(20)29(34)35-3)32-27(33)22-15-24(18-7-5-6-16(2)12-18)31-23-11-9-19(30)14-21(22)23/h5-7,9,11-12,14-15,17H,4,8,10,13H2,1-3H3,(H,32,33)InChIKey
RRDGNBMICJKJHK-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C
InChI=1SC29H27BrN2O3Sc14178102025(1317)3628(26(20)29(34)353)3227(33)221524(1875616(2)1218)312311919(30)1421(22)23h5791112141517H481013H213H3(H3233)
methyl2(((6bromo2(3methylphenyl)quinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2((6bromo2(3methylphenyl)quinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD03465491
ZINC000002735921
ZINC000002735922
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