Vitas-M small molecule compound

N-(4-nitrophenyl)-3-oxobutanamide

Catalog ID
STK097825
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CC(=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 C10H10N2O4 MW 222.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
InChIKey
KCXJQNDNGLRYBN-UHFFFAOYSA-N
Synonyms
4835-39-6
4835396
4NITROACETOACETANILIDE
ACETOACETAMIDEN(4NITROPHENYL)
ACETOACETPNITROANILIDE(AAPNA)
BUTANAMIDEN(4NITROPHENYL)3OXO
CC(=O)CC(=O)NC1=CC=C(C=C1)(N+)(=O)(O)
InChI=1SC10H10N2O4c17(13)610(14)118249(538)12(15)16h25H6H21H3(H1114)
MFCD00452522
N(4NITROPHENYL)2ACETYLACETAMIDE
N(4NITROPHENYL)3OXOBUTANAMIDE
N(4NITROPHENYL)3OXOBUTYRAMIDE
O=C(Nc1ccc(cc1)(N+)(=O)(O))CC(=O)C
STK097825
ZINC000003885163
ZINC03885163
ZINC3885163

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Available files

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