Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-nitrobenzenesulfonate
Catalog ID
STK362073
SMILES N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1cc(Cl)cc(c1)Cl
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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 C22H13Cl2N3O6S MW 518.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13Cl2N3O6S/c23-16-10-17(24)12-18(11-16)26-22(28)15(13-25)9-14-1-5-20(6-2-14)33-34(31,32)21-7-3-19(4-8-21)27(29)30/h1-12H,(H,26,28)/b15-9+InChIKey
ICVGOSVZUNSXED-OQLLNIDSSA-NSynonyms
(4((E)2CYANO3(35DICHLOROANILINO)3OXOPROP1ENYL)PHENYL)4NITROBENZENESULFONATE
4((1E)2CYANO3((35DICHLOROPHENYL)AMINO)3OXOPROP1EN1YL)PHENYL4NITROBENZENESULFONATE
C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC(=CC(=C2)Cl)Cl)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H13Cl2N3O6Sc23161017(24)1218(1116)2622(28)15(1325)9141520(6214)3334(3132)217319(4821)27(29)30h112H(H2628)b159+
MFCD02915011
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1cc(Cl)cc(c1)Cl
ZINC000002807582
ZINC2807582
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