Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-nitroaniline

Catalog ID
STK145694
SMILES Cc1cc(ccc1NCc1ccc2c(c1)OCO2)[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 C15H14N2O4 MW 286.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O4/c1-10-6-12(17(18)19)3-4-13(10)16-8-11-2-5-14-15(7-11)21-9-20-14/h2-7,16H,8-9H2,1H3
InChIKey
HUWKCHOVIMSRCZ-UHFFFAOYSA-N
Synonyms
331964-92-2
331964922
CC1=C(C=CC(=C1)(N+)(=O)(O))NCC2=CC3=C(C=C2)OCO3
Cc1cc(ccc1NCc1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC15H14N2O4c110612(17(18)19)3413(10)16811251415(711)2192014h2716H89H21H3
MFCD01129762
N(13BENZODIOXOL5YLMETHYL)2METHYL4NITROANILINE
ZINC000004685522
ZINC04685522
ZINC4685522

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Available files

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