Vitas-M small molecule compound

N-(5-bromo-2-methoxybenzyl)-3-nitroaniline

Catalog ID
STL495464
SMILES COc1ccc(cc1CNc1cccc(c1)[N+](=O)[O-])Br

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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 C14H13BrN2O3 MW 337.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN2O3/c1-20-14-6-5-11(15)7-10(14)9-16-12-3-2-4-13(8-12)17(18)19/h2-8,16H,9H2,1H3
InChIKey
JYGFLSJYKHORLN-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)Br)CNC2=CC(=CC=C2)(N+)(=O)(O)
COc1ccc(cc1CNc1cccc(c1)(N+)(=O)(O))Br
InChI=1SC14H13BrN2O3c120146511(15)710(14)9161232413(812)17(18)19h2816H9H21H3
MFCD06633541
N((5BROMO2METHOXYPHENYL)METHYL)3NITROANILINE
N(5bromo2methoxybenzyl)3nitroaniline
ZINC000004839641
ZINC04839641
ZINC4839641

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Available files

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