Vitas-M small molecule compound

methyl 2-({[2-(2-methylphenyl)quinolin-4-yl]carbonyl}amino)-4-phenylthiophene-3-carboxylate

Catalog ID
STK958675
SMILES COC(=O)c1c(scc1c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1C

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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 C29H22N2O3S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O3S/c1-18-10-6-7-13-20(18)25-16-22(21-14-8-9-15-24(21)30-25)27(32)31-28-26(29(33)34-2)23(17-35-28)19-11-4-3-5-12-19/h3-17H,1-2H3,(H,31,32)
InChIKey
JDABIRPWNYTVJK-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OC
InChI=1SC29H22N2O3Sc11810671320(18)251622(2114891524(21)3025)27(32)312826(29(33)342)23(173528)19114351219h317H12H3(H3132)
METHYL2(((2(2METHYLPHENYL)QUINOLIN4YL)CARBONYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((2(2METHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((2(2METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD02605527
ZINC000002751536
ZINC02751536
ZINC2751536

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Available files

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