Vitas-M small molecule compound

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

Catalog ID
STK051396
SMILES COC(=O)CCC(=O)Nc1ccc(cc1)[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)7-6-10(14)12-8-2-4-9(5-3-8)13(16)17/h2-5H,6-7H2,1H3,(H,12,14)
InChIKey
RAMUFABIQJQFKV-UHFFFAOYSA-N
Synonyms
86396-56-7
86396567
COC(=O)CCC(=O)NC1=CC=C(C=C1)(N+)(=O)(O)
COC(=O)CCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC11H12N2O5c11811(15)7610(14)128249(538)13(16)17h25H67H21H3(H1214)
METHYL3(N(4NITROPHENYL)CARBAMOYL)PROPANOATE
METHYL4((4NITROPHENYL)AMINO)4OXOBUTANOATE
METHYL4(4NITROANILINO)4OXOBUTANOATE
MFCD00446838
STK051396
ZINC000004011937
ZINC04011937
ZINC4011937

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Available files

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