Vitas-M small molecule compound
4-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl benzenesulfonate
Catalog ID
STK088446
SMILES N#C/C(=C\c1ccc(cc1)OS(=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(17-8-10-19(11-9-17)23(24)25)14-16-6-12-20(13-7-16)28-29(26,27)21-4-2-1-3-5-21/h1-14H/b18-14+InChIKey
QILVDHMOLXUTIO-NBVRZTHBSA-NSynonyms
(4((Z)2CYANO2(4NITROPHENYL)ETHENYL)PHENYL)BENZENESULFONATE
4((Z)2CYANO2(4NITROPHENYL)ETHENYL)PHENYLBENZENESULFONATE
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H14N2O5Sc221518(1781019(11917)23(24)25)141661220(13716)2829(2627)214213521h114Hb1814+
MFCD03227829
N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
STK088446
ZINC000004673236
ZINC04673236
ZINC4673236
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