Vitas-M small molecule compound

methyl 4-[(3-nitrophenyl)amino]-4-oxobutanoate

Catalog ID
STK050707
SMILES COC(=O)CCC(=O)Nc1cccc(c1)[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 C11H12N2O5 MW 252.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKey
SFPYPXJSMQYUIW-UHFFFAOYSA-N
Synonyms
68981-17-9
68981179
COC(=O)CCC(=O)NC1=CC(=CC=C1)(N+)(=O)(O)
COC(=O)CCC(=O)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC11H12N2O5c11811(15)6510(14)1283249(78)13(16)17h247H56H21H3(H1214)
METHYL3(N(3NITROPHENYL)CARBAMOYL)PROPANOATE
METHYL4((3NITROPHENYL)AMINO)4OXOBUTANOATE
METHYL4(3NITROANILINO)4OXOBUTANOATE
MFCD00507709
N(3NITROPHENYL)SUCCINAMICACIDMETHYLESTER
STK050707
ZINC000000125250
ZINC00125250
ZINC125250

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Available files

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