Vitas-M small molecule compound

5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK553348
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)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 C29H27FN4O3S MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN4O3S/c1-16-12-17(2)27(18(3)13-16)34-24(35)15-38-29-20(14-31)26(23-10-7-11-37-23)25(19(4)32-29)28(36)33-22-9-6-5-8-21(22)30/h5-13,26,32H,15H2,1-4H3,(H,33,36)(H,34,35)
InChIKey
PYTVYGKQZRQTQA-UHFFFAOYSA-N
Synonyms
799771-76-9
5cyanoN(2fluorophenyl)4(furan2yl)2methyl6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxamide
5CYANON(2FLUOROPHENYL)4(FURAN2YL)2METHYL6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXAMIDE
5cyanoN(2fluorophenyl)4(furan2yl)6((2(mesitylamino)2oxoethyl)thio)2methyl14dihydropyridine3carboxamide
799771769
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3F)C4=CC=CO4)C#N)C
InChI=1SC29H27FN4O3Sc1161217(2)27(18(3)1316)3424(35)15382920(1431)26(23107113723)25(19(4)3229)28(36)3322965821(22)30h5132632H15H214H3(H3336)(H3435)
MFCD03671982
ZINC000097951901
ZINC000097951902

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Available files

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