Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826624
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-4-11-27-21(25)18-14(3)23-20(28-13-17(24)26-5-2)16(12-22)19(18)15-9-7-6-8-10-15/h4,6-10,19,23H,1,5,11,13H2,2-3H3InChIKey
ZQXKUKNKSYZWDH-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2)C#N
InChI=1SC21H22N2O4Sc14112721(25)1814(3)2320(281317(24)2652)16(1222)19(18)1597681015h46101923H151113H223H3
MFCD10086593
prop2en1yl5cyano6((2ethoxy2oxoethyl)sulfanyl)2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl5cyano6(2ethoxy2oxoethyl)sulfanyl2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020347854
ZINC000020347855
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