Vitas-M small molecule compound

2-{(E)-[(5,6-dimethyl-1H-benzimidazol-3-ium-1-yl)imino]methyl}-4-nitrophenolate

Catalog ID
STL050643
SMILES [O-]c1ccc(cc1/C=N/n1c[nH+]c2c1cc(C)c(c2)C)[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 C16H14N4O3 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3/c1-10-5-14-15(6-11(10)2)19(9-17-14)18-8-12-7-13(20(22)23)3-4-16(12)21/h3-9,21H,1-2H3/b18-8+
InChIKey
WUMROXMHPZIPGM-QGMBQPNBSA-N
Synonyms
586993-12-6
(O)c1ccc(cc1C=Nn1c(nH+)c2c1cc(C)c(c2)C)(N+)(=O)(O)
2((E)((56dimethyl1Hbenzimidazol3ium1yl)imino)methyl)4nitrophenolate
586993126
MFCD04032108
ZINC000005119045

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.