Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK550815
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)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 C30H23ClF3N3O3S MW 598.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClF3N3O3S/c1-18-26(29(39)40-16-19-6-3-2-4-7-19)27(20-10-12-22(31)13-11-20)24(15-35)28(36-18)41-17-25(38)37-23-9-5-8-21(14-23)30(32,33)34/h2-14,27,36H,16-17H2,1H3,(H,37,38)InChIKey
NEIFAGHOAXVDKU-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H23ClF3N3O3Sc11826(29(39)4016196324719)27(20101222(31)131120)24(1535)28(3618)411725(38)372395821(1423)30(3233)34h2142736H1617H21H3(H3738)
MFCD03672883
ZINC000097999916
ZINC000097999917
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