Vitas-M small molecule compound
2-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl benzenesulfonate
Catalog ID
STK090251
SMILES N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)/c1ccc(cc1)[N+](=O)[O-]
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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 C21H14N2O5S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O5S/c22-15-18(16-10-12-19(13-11-16)23(24)25)14-17-6-4-5-9-21(17)28-29(26,27)20-7-2-1-3-8-20/h1-14H/b18-14+InChIKey
KPGBIOHJKIENJT-NBVRZTHBSA-NSynonyms
(2((Z)2CYANO2(4NITROPHENYL)ETHENYL)PHENYL)BENZENESULFONATE
2((Z)2CYANO2(4NITROPHENYL)ETHENYL)PHENYLBENZENESULFONATE
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C(C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H14N2O5Sc221518(16101219(131116)23(24)25)1417645921(17)2829(2627)207213820h114Hb1814+
MFCD02126407
N#CC(=Cc1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK090251
ZINC000002064517
ZINC02064517
ZINC2064517
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