Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK549579
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1c(C)cccc1C
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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 C25H24FN3O4S MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O4S/c1-4-33-25(32)21-20(16-10-5-6-11-18(16)26)17(12-27)24(29-23(21)31)34-13-19(30)28-22-14(2)8-7-9-15(22)3/h5-11,20-21H,4,13H2,1-3H3,(H,28,30)(H,29,31)InChIKey
LNYHGIOOGJTLAX-UHFFFAOYSA-NSynonyms
799772-31-9799772319
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=C(C=CC=C2C)C)C#N)C3=CC=CC=C3F
ethyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ethyl5cyano6((2((26dimethylphenyl)amino)2oxoethyl)thio)4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO6(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC25H24FN3O4Sc143325(32)2120(1610561118(16)26)17(1227)24(2923(21)31)341319(30)282214(2)87915(22)3h5112021H413H213H3(H2830)(H2931)
MFCD03672228
ZINC000009110681
ZINC000009110684
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