Vitas-M small molecule compound
4-bromo-2-{(1Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-nitrobenzenesulfonate
Catalog ID
STK379131
SMILES N#C/C(=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)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 C23H16BrN3O6S MW 542.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrN3O6S/c1-15-2-5-19(6-3-15)26-23(28)17(14-25)12-16-13-18(24)4-11-22(16)33-34(31,32)21-9-7-20(8-10-21)27(29)30/h2-13H,1H3,(H,26,28)/b17-12-InChIKey
NBXAPCIBFUFYAE-ATVHPVEESA-NSynonyms
(4bromo2((Z)2cyano3(4methylanilino)3oxoprop1enyl)phenyl)4nitrobenzenesulfonate
2((1Z)2CYANO2(N(4METHYLPHENYL)CARBAMOYL)VINYL)4BROMOPHENYL4NITROBENZENESULFONATE
4bromo2((1Z)2cyano3((4methylphenyl)amino)3oxoprop1en1yl)phenyl4nitrobenzenesulfonate
CC1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC23H16BrN3O6Sc1152519(6315)2623(28)17(1425)12161318(24)41122(16)3334(3132)219720(81021)27(29)30h213H1H3(H2628)b1712
MFCD01874707
N#CC(=Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)C
ZINC000059222089
ZINC59222089
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