Vitas-M small molecule compound
ethyl 4-(4-chlorophenyl)-5-cyano-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK551187
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
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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/c1-2-40-29(39)26-25(18-11-13-21(31)14-12-18)23(16-35)28(37-27(26)19-7-4-3-5-8-19)41-17-24(38)36-22-10-6-9-20(15-22)30(32,33)34/h3-15,25,37H,2,17H2,1H3,(H,36,38)InChIKey
AZMXZTAYKTWRLP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4
ethyl4(4chlorophenyl)5cyano6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(4chlorophenyl)5cyano6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)thio)2phenyl14dihydropyridine3carboxylate
ETHYL4(4CHLOROPHENYL)5CYANO6(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC30H23ClF3N3O3Sc124029(39)2625(18111321(31)141218)23(1635)28(3727(26)197435819)411724(38)3622106920(1522)30(3233)34h3152537H217H21H3(H3638)
MFCD03672854
ZINC000001864348
ZINC000001864351
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