Vitas-M small molecule compound

3-(2-methoxybenzyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole

Catalog ID
STK093146
SMILES COc1ccccc1Cc1noc(n1)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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-22-14-5-3-2-4-12(14)10-15-17-16(23-18-15)11-6-8-13(9-7-11)19(20)21/h2-9H,10H2,1H3
InChIKey
OZLYAIZKCVVAKK-UHFFFAOYSA-N
Synonyms

3((2METHOXYPHENYL)METHYL)5(4NITROPHENYL)124OXADIAZOLE
3(2METHOXYBENZYL)5(4NITROPHENYL)124OXADIAZOLE
COC1=CC=CC=C1CC2=NOC(=N2)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccccc1Cc1noc(n1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13N3O4c12214532412(14)10151716(231815)116813(9711)19(20)21h29H10H21H3
MFCD02217038
STK093146
ZINC000002955139
ZINC02955139
ZINC2955139

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Available files

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