Vitas-M small molecule compound

N-(4-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide

Catalog ID
STK538255
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccncc1)C(=O)Nc1ccc(cc1)Cl)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 C29H26ClN5O2S MW 544.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN5O2S/c1-17-4-9-24(18(2)14-17)35-25(36)16-38-29-23(15-31)27(20-10-12-32-13-11-20)26(19(3)33-29)28(37)34-22-7-5-21(30)6-8-22/h4-14,27,33H,16H2,1-3H3,(H,34,37)(H,35,36)
InChIKey
ZHBFCMJKLUNTIA-UHFFFAOYSA-N
Synonyms
369398-91-4
369398914
CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=NC=C4)C#N)C
InChI=1SC29H26ClN5O2Sc1174924(18(2)1417)3525(36)16382923(1531)27(20101232131120)26(19(3)3329)28(37)34227521(30)6822h4142733H16H213H3(H3437)(H3536)
MFCD03000478
N(4chlorophenyl)5cyano6((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydro44bipyridine3carboxamide
N(4CHLOROPHENYL)5CYANO6((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)THIO)2METHYL14DIHYDRO(44BIPYRIDINE)3CARBOXAMIDE
N(4CHLOROPHENYL)5CYANO6(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL4PYRIDIN4YL14DIHYDROPYRIDINE3CARBOXAMIDE
ZINC000001257707
ZINC000001257716

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Available files

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