Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{4-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK287671
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])/c1nc2c([nH]1)cccc2
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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 C23H16N4O3 MW 396.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O3/c24-14-18(23-25-21-3-1-2-4-22(21)26-23)13-16-7-11-20(12-8-16)30-15-17-5-9-19(10-6-17)27(28)29/h1-13H,15H2,(H,25,26)/b18-13+InChIKey
WWZFGYPVXLVMGT-QGOAFFKASA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(4((4nitrobenzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(4((4NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))C#N
InChI=1SC23H16N4O3c241418(232521312422(21)2623)131671120(12816)3015175919(10617)27(28)29h113H15H2(H2526)b1813+
MFCD04213328
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000004978920
ZINC04978920
ZINC4978920
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