Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887284
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(c(c1)Cl)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 C23H19Cl2N3O4S MW 504.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2N3O4S/c1-3-8-32-23(30)20-13(2)27-22(15(11-26)21(20)18-5-4-9-31-18)33-12-19(29)28-14-6-7-16(24)17(25)10-14/h3-7,9-10,21,27H,1,8,12H2,2H3,(H,28,29)InChIKey
JACGDESHDYVFIJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=CO3)C(=O)OCC=C
InChI=1SC23H19Cl2N3O4Sc1383223(30)2013(2)2722(15(1126)21(20)185493118)331219(29)28146716(24)17(25)1014h379102127H1812H22H3(H2829)
MFCD10088147
prop2en1yl5cyano6((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
prop2enyl5cyano6(2(34dichloroanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carboxylate
ZINC000020348567
ZINC000020348568
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