Vitas-M small molecule compound
N-(4-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827549
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccccc1F)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 C28H28ClFN4O2S MW 539.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClFN4O2S/c1-17-25(27(36)34-20-13-11-18(29)12-14-20)26(21-9-5-6-10-23(21)30)22(15-31)28(32-17)37-16-24(35)33-19-7-3-2-4-8-19/h5-6,9-14,19,26,32H,2-4,7-8,16H2,1H3,(H,33,35)(H,34,36)InChIKey
XCYKSXDPZLSRAG-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC28H28ClFN4O2Sc11725(27(36)3420131118(29)121420)26(219561023(21)30)22(1531)28(3217)371624(35)33197324819h56914192632H247816H21H3(H3335)(H3436)
MFCD10088051
N(4chlorophenyl)5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)4(2fluorophenyl)2methyl14dihydropyridine3carboxamide
N(4chlorophenyl)5cyano6(2(cyclohexylamino)2oxoethyl)sulfanyl4(2fluorophenyl)2methyl14dihydropyridine3carboxamide
ZINC000102809817
ZINC000102809818
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