Vitas-M small molecule compound

methyl 2-({[6-bromo-2-(4-butylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK428998
SMILES CCCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2)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 C31H31BrN2O3S MW 591.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN2O3S/c1-3-4-8-19-11-13-20(14-12-19)26-18-24(23-17-21(32)15-16-25(23)33-26)29(35)34-30-28(31(36)37-2)22-9-6-5-7-10-27(22)38-30/h11-18H,3-10H2,1-2H3,(H,34,35)
InChIKey
ISCRSJMYGPFITE-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC
InChI=1SC31H31BrN2O3Sc134819111320(141219)261824(231721(32)151625(23)3326)29(35)343028(31(36)372)2296571027(22)3830h1118H310H212H3(H3435)
methyl2(((6bromo2(4butylphenyl)quinolin4yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((6bromo2(4butylphenyl)quinoline4carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03233322
ZINC000002789428
ZINC02789428
ZINC2789428

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Available files

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