Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK287698
SMILES COc1cc(ccc1Oc1ccc(cn1)[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 C22H15N5O4 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N5O4/c1-30-20-11-14(6-8-19(20)31-21-9-7-16(13-24-21)27(28)29)10-15(12-23)22-25-17-4-2-3-5-18(17)26-22/h2-11,13H,1H3,(H,25,26)/b15-10+InChIKey
KQRQCLDXKNZRMK-XNTDXEJSSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3methoxy4((5nitropyridin2yl)oxy)phenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3METHOXY4(5NITRO(2PYRIDYL)OXY)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3METHOXY4(5NITROPYRIDIN2YL)OXYPHENYL)PROP2ENENITRILE
2(1HBENZOIMIDAZOL2YL)3(3METHOXY4(5NITROPYRIDIN2YLOXY)PHENYL)ACRYLONITRILE
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC4=NC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cn1)(N+)(=O)(O))C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC22H15N5O4c130201114(6819(20)31219716(132421)27(28)29)1015(1223)222517423518(17)2622h21113H1H3(H2526)b1510+
MFCD04213243
ZINC000004451486
ZINC04451486
ZINC4451486
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