Vitas-M small molecule compound

methyl 4-(4-bromophenyl)-2-({[2-(4-propylphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate

Catalog ID
STK423054
SMILES CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Nc1scc(c1C(=O)OC)c1ccc(cc1)Br

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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 C31H25BrN2O3S MW 585.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25BrN2O3S/c1-3-6-19-9-11-21(12-10-19)27-17-24(23-7-4-5-8-26(23)33-27)29(35)34-30-28(31(36)37-2)25(18-38-30)20-13-15-22(32)16-14-20/h4-5,7-18H,3,6H2,1-2H3,(H,34,35)
InChIKey
VLWUNCJQDFFIAO-UHFFFAOYSA-N
Synonyms

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)OC
InChI=1SC31H25BrN2O3Sc1361991121(121019)271724(23745826(23)3327)29(35)343028(31(36)372)25(183830)20131522(32)161420h45718H36H212H3(H3435)
methyl4(4bromophenyl)2(((2(4propylphenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
METHYL4(4BROMOPHENYL)2((2(4PROPYLPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
METHYL4(4BROMOPHENYL)2((2(4PROPYLPHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02245032
ZINC000002769466
ZINC2769466

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Available files

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