Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887267
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F
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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 C24H20F3N3O3S2 MW 519.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F3N3O3S2/c1-3-9-33-23(32)20-14(2)29-22(17(12-28)21(20)18-8-5-10-34-18)35-13-19(31)30-16-7-4-6-15(11-16)24(25,26)27/h3-8,10-11,21,29H,1,9,13H2,2H3,(H,30,31)InChIKey
IPPOZPQANKDENW-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=CS3)C(=O)OCC=C
InChI=1SC24H20F3N3O3S2c1393323(32)2014(2)2922(17(1228)21(20)1885103418)351319(31)301674615(1116)24(2526)27h3810112129H1913H22H3(H3031)
MFCD10088118
prop2en1yl5cyano2methyl6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
prop2enyl5cyano2methyl6(2oxo2(3(trifluoromethyl)anilino)ethyl)sulfanyl4thiophen2yl14dihydropyridine3carboxylate
ZINC000020348520
ZINC000020348522
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