Vitas-M small molecule compound

N-[1-(4-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide

Catalog ID
STK307985
SMILES Clc1ccc(cc1)Cn1cnc(n1)NC(=O)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 C16H12ClN5O3 MW 357.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O3/c17-13-5-1-11(2-6-13)9-21-10-18-16(20-21)19-15(23)12-3-7-14(8-4-12)22(24)25/h1-8,10H,9H2,(H,19,20,23)
InChIKey
RWEXPJVFRNJXOK-UHFFFAOYSA-N
Synonyms
769926-99-0
769926990
C1=CC(=CC=C1CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Cl
Clc1ccc(cc1)Cn1cnc(n1)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H12ClN5O3c17135111(2613)921101816(2021)1915(23)123714(8412)22(24)25h1810H9H2(H192023)
MFCD04131518
N(1((4CHLOROPHENYL)METHYL)124TRIAZOL3YL)4NITROBENZAMIDE
N(1(4chlorobenzyl)1H124triazol3yl)4nitrobenzamide
ZINC000002794822
ZINC02794822
ZINC2794822

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Available files

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