Vitas-M small molecule compound

methyl 2-[({6-bromo-2-[4-(propan-2-yl)phenyl]quinolin-4-yl}carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate

Catalog ID
STK426340
SMILES COC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C(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 C31H24BrClN2O3S MW 619.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24BrClN2O3S/c1-17(2)18-4-6-20(7-5-18)27-15-24(23-14-21(32)10-13-26(23)34-27)29(36)35-30-28(31(37)38-3)25(16-39-30)19-8-11-22(33)12-9-19/h4-17H,1-3H3,(H,35,36)
InChIKey
XDEBWCKZZPLEPH-UHFFFAOYSA-N
Synonyms

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)OC
InChI=1SC31H24BrClN2O3Sc117(2)184620(7518)271524(231421(32)101326(23)3427)29(36)353028(31(37)383)25(163930)1981122(33)12919h417H13H3(H3536)
methyl2(((6bromo2(4(propan2yl)phenyl)quinolin4yl)carbonyl)amino)4(4chlorophenyl)thiophene3carboxylate
METHYL2(((6BROMO2(4ISOPROPYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)4(4CHLOROPHENYL)3THIOPHENECARBOXYLATE
METHYL2((6BROMO2(4(METHYLETHYL)PHENYL)(4QUINOLYL))CARBONYLAMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(4PROPAN2YLPHENYL)QUINOLINE4CARBONYL)AMINO)4(4CHLOROPHENYL)THIOPHENE3CARBOXYLATE
MFCD02374561
ZINC000008454547
ZINC08454547
ZINC8454547

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Available files

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