Vitas-M small molecule compound
methyl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK725929
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)C1C(=O)OC)C#N
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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 C24H22BrN3O5S MW 544.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O5S/c1-3-33-18-7-5-4-6-16(18)20-17(12-26)23(28-22(30)21(20)24(31)32-2)34-13-19(29)27-15-10-8-14(25)9-11-15/h4-11,20-21H,3,13H2,1-2H3,(H,27,29)(H,28,30)InChIKey
FCDGHDWMQVDXJU-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C(=O)OC
InChI=1SC24H22BrN3O5Sc133318754616(18)2017(1226)23(2822(30)21(20)24(31)322)341319(29)271510814(25)91115h4112021H313H212H3(H2729)(H2830)
methyl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano4(2ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2((4bromophenyl)amino)2oxoethyl)thio)5cyano4(2ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD02240138
ZINC000002297737
ZINC000002297740
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