Vitas-M small molecule compound
ethyl 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK725809
SMILES CCOC(=O)C1=C(C)NC(=C(C1CC(C)C)C#N)SCC(=O)c1ccc(cc1)F
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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 C22H25FN2O3S MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN2O3S/c1-5-28-22(27)20-14(4)25-21(18(11-24)17(20)10-13(2)3)29-12-19(26)15-6-8-16(23)9-7-15/h6-9,13,17,25H,5,10,12H2,1-4H3InChIKey
SHZBBXZYECJLGS-UHFFFAOYSA-NSynonyms
231935-13-0231935130
CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)C2=CC=C(C=C2)F)C
ethyl5cyano6((2(4fluorophenyl)2oxoethyl)sulfanyl)2methyl4(2methylpropyl)14dihydropyridine3carboxylate
ETHYL5CYANO6((2(4FLUOROPHENYL)2OXOETHYL)SULFANYL)4ISOBUTYL2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
ethyl5cyano6((2(4fluorophenyl)2oxoethyl)thio)4isobutyl2methyl14dihydropyridine3carboxylate
ETHYL5CYANO6(2(4FLUOROPHENYL)2OXOETHYL)SULFANYL2METHYL4(2METHYLPROPYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC22H25FN2O3Sc152822(27)2014(4)2521(18(1124)17(20)1013(2)3)291219(26)156816(23)9715h69131725H51012H214H3
MFCD01464782
ZINC000000999341
ZINC000019901093
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