Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-propoxyethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826611
SMILES CCCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC=C)c1ccccc1Cl
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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 C22H23ClN2O4S MW 446.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O4S/c1-4-10-28-18(26)13-30-21-16(12-24)20(15-8-6-7-9-17(15)23)19(14(3)25-21)22(27)29-11-5-2/h5-9,20,25H,2,4,10-11,13H2,1,3H3InChIKey
RLNJTJSEJMQMSK-UHFFFAOYSA-NSynonyms
CCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N
InChI=1SC22H23ClN2O4Sc14102818(26)13302116(1224)20(15867917(15)23)19(14(3)2521)22(27)291152h592025H24101113H213H3
MFCD10086580
prop2en1yl4(2chlorophenyl)5cyano2methyl6((2oxo2propoxyethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl4(2chlorophenyl)5cyano2methyl6(2oxo2propoxyethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000020347836
ZINC000020347837
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