Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886031
SMILES CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)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 C25H23ClN2O4S MW 482.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O4S/c1-3-31-21(29)15-33-24-19(13-27)23(18-11-7-8-12-20(18)26)22(16(2)28-24)25(30)32-14-17-9-5-4-6-10-17/h4-12,23,28H,3,14-15H2,1-2H3InChIKey
GDFGRGLJLNVJFE-UHFFFAOYSA-NSynonyms
693230-08-9693230089
benzyl4(2chlorophenyl)5cyano6((2ethoxy2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano6((2ethoxy2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(2CHLOROPHENYL)5CYANO6(2ETHOXY2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N
InChI=1SC25H23ClN2O4Sc133121(29)15332419(1327)23(1811781220(18)26)22(16(2)2824)25(30)32141795461017h4122328H31415H212H3
MFCD03668836
ZINC000001142327
ZINC000001142328
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