Vitas-M small molecule compound

methyl 2-({[6-bromo-2-(4-butylphenyl)quinolin-4-yl]carbonyl}amino)-4-(pyridin-3-yl)thiophene-3-carboxylate

Catalog ID
STK449437
SMILES CCCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1scc(c1C(=O)OC)c1cccnc1)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 C31H26BrN3O3S MW 600.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN3O3S/c1-3-4-6-19-8-10-20(11-9-19)27-16-24(23-15-22(32)12-13-26(23)34-27)29(36)35-30-28(31(37)38-2)25(18-39-30)21-7-5-14-33-17-21/h5,7-18H,3-4,6H2,1-2H3,(H,35,36)
InChIKey
GHUAKIAJCYHEER-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CN=CC=C5)C(=O)OC
InChI=1SC31H26BrN3O3Sc13461981020(11919)271624(231522(32)121326(23)3427)29(36)353028(31(37)382)25(183930)217514331721h5718H346H212H3(H3536)
METHYL2(((6BROMO2(4BUTYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)4(3PYRIDINYL)3THIOPHENECARBOXYLATE
methyl2(((6bromo2(4butylphenyl)quinolin4yl)carbonyl)amino)4(pyridin3yl)thiophene3carboxylate
METHYL2((6BROMO2(4BUTYLPHENYL)(4QUINOLYL))CARBONYLAMINO)4(3PYRIDYL)THIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(4BUTYLPHENYL)QUINOLINE4CARBONYL)AMINO)4(3PYRIDYL)THIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(4BUTYLPHENYL)QUINOLINE4CARBONYL)AMINO)4PYRIDIN3YLTHIOPHENE3CARBOXYLATE
MFCD03467240
ZINC000008450952
ZINC08450952
ZINC8450952

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Available files

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