Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK550743
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)OCC
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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 C21H21ClN2O4S MW 432.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4S/c1-4-10-28-21(26)18-13(3)24-20(29-12-17(25)27-5-2)15(11-23)19(18)14-8-6-7-9-16(14)22/h4,6-9,19,24H,1,5,10,12H2,2-3H3InChIKey
KYTPQYQQTDLRKR-UHFFFAOYSA-NSynonyms
799768-77-7799768777
allyl4(2chlorophenyl)5cyano6((2ethoxy2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N
InChI=1SC21H21ClN2O4Sc14102821(26)1813(3)2420(291217(25)2752)15(1123)19(18)14867916(14)22h4691924H151012H223H3
MFCD03670875
prop2en1yl4(2chlorophenyl)5cyano6((2ethoxy2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(2CHLOROPHENYL)5CYANO6(2ETHOXY2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020170522
ZINC000020170524
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