Vitas-M small molecule compound

2-{2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethanone

Catalog ID
STK046627
SMILES OCCNc1nc2c(n1CC(=O)c1ccc(cc1)[N+](=O)[O-])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 C17H16N4O4 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4/c22-10-9-18-17-19-14-3-1-2-4-15(14)20(17)11-16(23)12-5-7-13(8-6-12)21(24)25/h1-8,22H,9-11H2,(H,18,19)
InChIKey
SDSZHYWMQMNLID-UHFFFAOYSA-N
Synonyms

2(2((2HYDROXYETHYL)AMINO)1HBENZIMIDAZOL1YL)1(4NITROPHENYL)ETHANONE
2(2((2hydroxyethyl)amino)1Hbenzo(d)imidazol1yl)1(4nitrophenyl)ethanonehydrobromide
2(2((2HYDROXYETHYL)AMINO)BENZIMIDAZOLYL)1(4NITROPHENYL)ETHAN1ONE
2(2(2HYDROXYETHYLAMINO)BENZIMIDAZOL1YL)1(4NITROPHENYL)ETHANONE
2(2(2HYDROXYETHYLAMINO)BENZOIMIDAZOL1YL)1(4NITROPHENYL)ETHANONE
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)(N+)(=O)(O))NCCO
InChI=1SC17H16N4O4c2210918171914312415(14)20(17)1116(23)125713(8612)21(24)25h1822H911H2(H1819)
MFCD01055106
OCCNc1nc2c(n1CC(=O)c1ccc(cc1)(N+)(=O)(O))cccc2
OCCNc1nc2c(n1CC(=O)c1ccc(cc1)(N+)(=O)(O))cccc2Br
STK046627
ZINC000001822355
ZINC1822355

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Available files

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