Vitas-M small molecule compound

3-(2-nitrophenyl)pentane-2,4-dione

Catalog ID
STK301611
SMILES CC(=O)C(c1ccccc1[N+](=O)[O-])C(=O)C

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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 C11H11NO4 MW 221.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO4/c1-7(13)11(8(2)14)9-5-3-4-6-10(9)12(15)16/h3-6,11H,1-2H3
InChIKey
CBYZMHCTWCVYKF-UHFFFAOYSA-N
Synonyms
89185-84-2
24PENTANEDIONE3(2NITROPHENYL)
3(2nitrophenyl)pentane24dione
89185842
CC(=O)C(C1=CC=CC=C1(N+)(=O)(O))C(=O)C
CC(=O)C(c1ccccc1(N+)(=O)(O))C(=O)C
InChI=1SC11H11NO4c17(13)11(8(2)14)9534610(9)12(15)16h3611H12H3
MFCD02113152
ZINC000100354097
ZINC100354097

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Available files

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