Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887397
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1C
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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 C23H20FN3O4S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O4S/c1-13-7-3-6-10-17(13)26-18(28)12-32-22-15(11-25)19(14-8-4-5-9-16(14)24)20(21(29)27-22)23(30)31-2/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)InChIKey
BFXJLXXNBJEXTG-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N
InChI=1SC23H20FN3O4Sc1137361017(13)2618(28)12322215(1125)19(14845916(14)24)20(21(29)2722)23(30)312h3101920H12H212H3(H2628)(H2729)
methyl5cyano4(2fluorophenyl)6((2((2methylphenyl)amino)2oxoethyl)sulfanyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO4(2FLUOROPHENYL)6(2(2METHYLANILINO)2OXOETHYL)SULFANYL2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD05716480
ZINC000009980760
ZINC000009980782
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