Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK545630
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1ccc(cc1)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 C25H24FN3O4S MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O4S/c1-14(2)15-4-6-16(7-5-15)21-19(12-27)24(29-23(31)22(21)25(32)33-3)34-13-20(30)28-18-10-8-17(26)9-11-18/h4-11,14,21-22H,13H2,1-3H3,(H,28,30)(H,29,31)InChIKey
YSXDZGRGVLZFMP-UHFFFAOYSA-NSynonyms
683793-88-6683793886
CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)C(=O)OC
InChI=1SC25H24FN3O4Sc114(2)154616(7515)2119(1227)24(2923(31)22(21)25(32)333)341320(30)281810817(26)91118h411142122H13H213H3(H2830)(H2931)
methyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2oxo4(4(propan2yl)phenyl)1234tetrahydropyridine3carboxylate
methyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)4(4isopropylphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03665945
ZINC000009109847
ZINC000009109850
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