Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK287701
SMILES CCOc1cc(ccc1OCc1ccccc1[N+](=O)[O-])/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C25H20N4O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4/c1-2-32-24-14-17(13-19(15-26)25-27-20-8-4-5-9-21(20)28-25)11-12-23(24)33-16-18-7-3-6-10-22(18)29(30)31/h3-14H,2,16H2,1H3,(H,27,28)/b19-13+InChIKey
GQZSNEQOLMXUBR-CPNJWEJPSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3ethoxy4((2nitrobenzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(3ETHOXY4((2NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=CC=C4(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccccc1(N+)(=O)(O))C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC25H20N4O4c1232241417(1319(1526)252720845921(20)2825)111223(24)3316187361022(18)29(30)31h314H216H21H3(H2728)b1913+
MFCD04213517
ZINC000009187162
ZINC09187162
ZINC9187162
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