Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK052482
SMILES CCOC(=O)C1=C(C)NC(=C(C1CC(C)C)C#N)SCC(=O)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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-5-27-22(26)20-15(4)24-21(18(12-23)17(20)11-14(2)3)28-13-19(25)16-9-7-6-8-10-16/h6-10,14,17,24H,5,11,13H2,1-4H3InChIKey
LBPTXUPPQYUJEP-UHFFFAOYSA-NSynonyms
231935-12-9231935129
CCOC(=O)C1=C(C)NC(=C(C1CC(C)C)C#N)SCC(=O)c1ccccc1
CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)C2=CC=CC=C2)C
ETHYL5CYANO2METHYL4(2METHYLPROPYL)6((2OXO2PHENYLETHYL)SULFANYL)14DIHYDROPYRIDINE3CARBOXYLATE
ETHYL5CYANO2METHYL4(2METHYLPROPYL)6PHENACYLSULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ethyl5cyano4isobutyl2methyl6((2oxo2phenylethyl)thio)14dihydropyridine3carboxylate
InChI=1SC22H26N2O3Sc152722(26)2015(4)2421(18(1223)17(20)1114(2)3)281319(25)1697681016h610141724H51113H214H3
MFCD01464595
STK052482
ZINC000000841811
ZINC000000841812
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