Vitas-M small molecule compound

N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-benzimidazole-5-carbohydrazide

Catalog ID
STK643506
SMILES C/C(=N\NC(=O)c1ccc2c(c1)nc[nH]2)/c1ccc(cc1)[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 C16H13N5O3 MW 323.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3/c1-10(11-2-5-13(6-3-11)21(23)24)19-20-16(22)12-4-7-14-15(8-12)18-9-17-14/h2-9H,1H3,(H,17,18)(H,20,22)/b19-10+
InChIKey
KFTZUGRQOXHVFT-VXLYETTFSA-N
Synonyms
488102-07-4
(E)N(1(4nitrophenyl)ethylidene)1Hbenzo(d)imidazole6carbohydrazide
3HBENZOIMIDAZOLE5CARBOXYLICACID(1(4NITROPHENYL)ETH(E)YLIDENE)HYDRAZIDE
488102074
CC(=NNC(=O)C1=CC2=C(C=C1)N=CN2)C3=CC=C(C=C3)(N+)(=O)(O)
CC(=NNC(=O)c1ccc2c(c1)(nH)cn2)c1ccc(cc1)(N+)(=O)(O)
CC(=NNC(=O)c1ccc2c(c1)nc(nH)2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13N5O3c110(112513(6311)21(23)24)192016(22)12471415(812)1891714h29H1H3(H1718)(H2022)b1910+
MFCD18163329
N((1E)1(4nitrophenyl)ethylidene)1Hbenzimidazole5carbohydrazide
N((E)1(4nitrophenyl)ethylideneamino)3Hbenzimidazole5carboxamide
ZINC000004870745
ZINC13144274

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Available files

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