Vitas-M small molecule compound
methyl 6-({2-[(2-bromo-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL415996
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1Br)C
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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 C24H22BrN3O4S MW 528.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O4S/c1-13-4-7-15(8-5-13)20-16(11-26)23(28-22(30)21(20)24(31)32-3)33-12-19(29)27-18-9-6-14(2)10-17(18)25/h4-10,20-21H,12H2,1-3H3,(H,27,29)(H,28,30)InChIKey
SWHARRLTXQKYMT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)C)Br)C(=O)OC
InChI=1SC24H22BrN3O4Sc1134715(8513)2016(1126)23(2822(30)21(20)24(31)323)331219(29)27189614(2)1017(18)25h4102021H12H213H3(H2729)(H2830)
methyl6((2((2bromo4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6(2(2bromo4methylanilino)2oxoethyl)sulfanyl5cyano4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD30706898
ZINC000220954029
ZINC000220954219
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