Vitas-M small molecule compound
methyl 6-[(2-{[4-bromo-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL371860
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SCC(=O)Nc1ccc(cc1C(F)(F)F)Br
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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 C24H19BrF3N3O5S MW 598.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrF3N3O5S/c1-35-14-6-3-12(4-7-14)19-15(10-29)22(31-21(33)20(19)23(34)36-2)37-11-18(32)30-17-8-5-13(25)9-16(17)24(26,27)28/h3-9,19-20H,11H2,1-2H3,(H,30,32)(H,31,33)InChIKey
QUMQFMJHOXGOBD-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F)C(=O)OC
InChI=1SC24H19BrF3N3O5Sc135146312(4714)1915(1029)22(3121(33)20(19)23(34)362)371118(32)30178513(25)916(17)24(2627)28h391920H11H212H3(H3032)(H3133)
methyl6((2((4bromo2(trifluoromethyl)phenyl)amino)2oxoethyl)sulfanyl)5cyano4(4methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(4BROMO2(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)SULFANYL5CYANO4(4METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD04151841
ZINC000000639154
ZINC000008452839
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