Vitas-M small molecule compound
methyl 6-({2-[(4-bromo-2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STL415995
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1Cl)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 C23H19BrClN3O4S MW 548.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrClN3O4S/c1-12-3-5-13(6-4-12)19-15(10-26)22(28-21(30)20(19)23(31)32-2)33-11-18(29)27-17-8-7-14(24)9-16(17)25/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)InChIKey
KLOOCQCQNOOLIZ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3)Br)Cl)C(=O)OC
InChI=1SC23H19BrClN3O4Sc1123513(6412)1915(1026)22(2821(30)20(19)23(31)322)331118(29)27178714(24)916(17)25h391920H11H212H3(H2729)(H2830)
methyl6((2((4bromo2chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6(2(4bromo2chloroanilino)2oxoethyl)sulfanyl5cyano4(4methylphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD30706897
ZINC000220953742
ZINC000220953925
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