Vitas-M small molecule compound

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

Catalog ID
STK092961
SMILES COc1ccc(cc1)Cc1onc(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/c1-22-14-8-2-11(3-9-14)10-15-17-16(18-23-15)12-4-6-13(7-5-12)19(20)21/h2-9H,10H2,1H3
InChIKey
HZLDVZXNEUJVME-UHFFFAOYSA-N
Synonyms

5((4METHOXYPHENYL)METHYL)3(4NITROPHENYL)124OXADIAZOLE
5(4METHOXYBENZYL)3(4NITROPHENYL)124OXADIAZOLE
COC1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1)Cc1onc(n1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13N3O4c122148211(3914)10151716(182315)124613(7512)19(20)21h29H10H21H3
MFCD03140897
STK092961
ZINC000000316237
ZINC00316237
ZINC316237

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Available files

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