Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887393
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1OC)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 C23H20FN3O5S MW 469.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O5S/c1-31-17-6-4-3-5-15(17)19-16(11-25)22(27-21(29)20(19)23(30)32-2)33-12-18(28)26-14-9-7-13(24)8-10-14/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)InChIKey
UPZSVCMOHWVXIA-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)C(=O)OC
InChI=1SC23H20FN3O5Sc13117643515(17)1916(1125)22(2721(29)20(19)23(30)322)331218(28)26149713(24)81014h3101920H12H212H3(H2628)(H2729)
methyl5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)4(2methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(2METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD14709849
ZINC000009980603
ZINC000009980621
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