Vitas-M small molecule compound
5-cyano-2-methyl-N-(2-methylphenyl)-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827593
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1C)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 C28H23F3N4O2S2 MW 568.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23F3N4O2S2/c1-16-7-3-4-10-21(16)35-26(37)24-17(2)33-27(20(14-32)25(24)22-11-6-12-38-22)39-15-23(36)34-19-9-5-8-18(13-19)28(29,30)31/h3-13,25,33H,15H2,1-2H3,(H,34,36)(H,35,37)InChIKey
TYWUITOFPOWQRT-UHFFFAOYSA-NSynonyms
5cyano2methylN(2methylphenyl)6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)4(thiophen2yl)14dihydropyridine3carboxamide
5cyano2methylN(2methylphenyl)6(2oxo2(3(trifluoromethyl)anilino)ethyl)sulfanyl4thiophen2yl14dihydropyridine3carboxamide
CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C
InChI=1SC28H23F3N4O2S2c1167341021(16)3526(37)2417(2)3327(20(1432)25(24)22116123822)391523(36)341995818(1319)28(2930)31h3132533H15H212H3(H3436)(H3537)
MFCD10088112
ZINC000102810048
ZINC000102810050
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