Vitas-M small molecule compound
prop-2-en-1-yl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK611363
SMILES CCCCSC1=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 C21H23ClN2O2S MW 402.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O2S/c1-4-6-12-27-20-16(13-23)19(15-9-7-8-10-17(15)22)18(14(3)24-20)21(25)26-11-5-2/h5,7-10,19,24H,2,4,6,11-12H2,1,3H3InChIKey
HFFDAVZWONSROH-UHFFFAOYSA-NSynonyms
799806-88-5799806885
allyl6(butylthio)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CCCCSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2Cl)C#N
InChI=1SC21H23ClN2O2Sc14612272016(1323)19(159781017(15)22)18(14(3)2420)21(25)261152h57101924H2461112H213H3
MFCD03679319
prop2en1yl6(butylsulfanyl)4(2chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6BUTYLSULFANYL4(2CHLOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020189144
ZINC000020189146
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