Vitas-M small molecule compound
methyl 6-({2-[(2-bromo-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK885873
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1Br)[N+](=O)[O-]
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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 C23H19BrN4O6S MW 559.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O6S/c1-12-3-5-13(6-4-12)19-15(10-25)22(27-21(30)20(19)23(31)34-2)35-11-18(29)26-17-8-7-14(28(32)33)9-16(17)24/h3-9,19-20H,11H2,1-2H3,(H,26,29)(H,27,30)InChIKey
AILUVQGUVOXNTO-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))Br)C(=O)OC
COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1Br)(N+)(=O)(O)
InChI=1SC23H19BrN4O6Sc1123513(6412)1915(1025)22(2721(30)20(19)23(31)342)351118(29)26178714(28(32)33)916(17)24h391920H11H212H3(H2629)(H2730)
methyl6((2((2bromo4nitrophenyl)amino)2oxoethyl)sulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6(2(2bromo4nitroanilino)2oxoethyl)sulfanyl5cyano4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD10086422
ZINC000102807303
ZINC000102807307
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Check stock on Vitas-MAvailable files
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