Vitas-M small molecule compound
(2E,4E)-2-(1H-benzimidazol-2-yl)-5-(3-nitrophenyl)penta-2,4-dienenitrile
Catalog ID
STL431157
SMILES N#C/C(=C\C=C\c1cccc(c1)[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 C18H12N4O2 MW 316.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O2/c19-12-14(18-20-16-9-1-2-10-17(16)21-18)7-3-5-13-6-4-8-15(11-13)22(23)24/h1-11H,(H,20,21)/b5-3+,14-7+InChIKey
CHTOHJBGMJEQKS-VWQNNZLTSA-NSynonyms
(2E4E)2(1Hbenzimidazol2yl)5(3nitrophenyl)penta24dienenitrile
(2E4E)2BENZIMIDAZOL2YL5(3NITROPHENYL)PENTA24DIENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC=CC3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC18H12N4O2c191214(1820169121017(16)2118)7351364815(1113)22(23)24h111H(H2021)b53+147+
MFCD01100408
N#CC(=CC=Cc1cccc(c1)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000000612546
ZINC00612546
ZINC612546
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