Vitas-M small molecule compound
ethyl 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK661500
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCC(=O)Nc1ccc(cc1)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 C23H19BrN4O6S MW 559.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O6S/c1-2-34-23(31)20-19(15-5-3-4-6-17(15)28(32)33)16(11-25)22(27-21(20)30)35-12-18(29)26-14-9-7-13(24)8-10-14/h3-10,19-20H,2,12H2,1H3,(H,26,29)(H,27,30)InChIKey
DEECJHPJGGIUDO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SCC(=O)Nc1ccc(cc1)Br
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3(N+)(=O)(O)
ethyl6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANO4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC23H19BrN4O6Sc123423(31)2019(15534617(15)28(32)33)16(1125)22(2721(20)30)351218(29)26149713(24)81014h3101920H212H21H3(H2629)(H2730)
MFCD01461337
ZINC000003668188
ZINC000003668191
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