Vitas-M small molecule compound

methyl 5-nitro-2-(propylamino)benzoate

Catalog ID
STK262315
SMILES CCCNc1ccc(cc1C(=O)OC)[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 C11H14N2O4 MW 238.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N2O4/c1-3-6-12-10-5-4-8(13(15)16)7-9(10)11(14)17-2/h4-5,7,12H,3,6H2,1-2H3
InChIKey
AIRSGVVWVFXTPO-UHFFFAOYSA-N
Synonyms

CCCNC1=C(C=C(C=C1)(N+)(=O)(O))C(=O)OC
CCCNc1ccc(cc1C(=O)OC)(N+)(=O)(O)
InChI=1SC11H14N2O4c1361210548(13(15)16)79(10)11(14)172h45712H36H212H3
methyl5nitro2(propylamino)benzoate
MFCD08547630
ZINC000009482537
ZINC09482537
ZINC9482537

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Available files

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