Vitas-M small molecule compound

methyl 2-({[6-bromo-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate

Catalog ID
STK427275
SMILES COC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(c(c1)C)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 C31H25BrN2O4S MW 601.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25BrN2O4S/c1-17-5-6-20(13-18(17)2)27-15-24(23-14-21(32)9-12-26(23)33-27)29(35)34-30-28(31(36)38-4)25(16-39-30)19-7-10-22(37-3)11-8-19/h5-16H,1-4H3,(H,34,35)
InChIKey
FCCUGMKDVVUNQC-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)OC)C(=O)OC)C
InChI=1SC31H25BrN2O4Sc1175620(1318(17)2)271524(231421(32)91226(23)3327)29(35)343028(31(36)384)25(163930)1971022(373)11819h516H14H3(H3435)
methyl2(((6bromo2(34dimethylphenyl)quinolin4yl)carbonyl)amino)4(4methoxyphenyl)thiophene3carboxylate
METHYL2((2(34DIMETHYLPHENYL)6BROMO(4QUINOLYL))CARBONYLAMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(34DIMETHYLPHENYL)QUINOLINE4CARBONYL)AMINO)4(4METHOXYPHENYL)THIOPHENE3CARBOXYLATE
MFCD02612147
ZINC000097948742
ZINC97948742

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.