Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK839516
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)Cl
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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 C23H20ClN3O4S MW 469.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4S/c1-3-10-31-23(29)20-14(2)26-22(17(12-25)21(20)18-5-4-11-30-18)32-13-19(28)27-16-8-6-15(24)7-9-16/h3-9,11,21,26H,1,10,13H2,2H3,(H,27,28)InChIKey
YZACYKUHHKXEBU-UHFFFAOYSA-NSynonyms
384356-88-1384356881
allyl6((2((4chlorophenyl)amino)2oxoethyl)thio)5cyano4(furan2yl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)C3=CC=CO3)C(=O)OCC=C
InChI=1SC23H20ClN3O4Sc13103123(29)2014(2)2622(17(1225)21(20)1854113018)321319(28)27168615(24)7916h39112126H11013H22H3(H2728)
MFCD03000921
prop2en1yl6((2((4chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(4CHLOROANILINO)2OXOETHYL)SULFANYL5CYANO4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020029132
ZINC000020029133
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