Vitas-M small molecule compound

ethyl 4-[(2-methyl-4-nitrophenyl)amino]-4-oxobutanoate

Catalog ID
STK069117
SMILES CCOC(=O)CCC(=O)Nc1ccc(cc1C)[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 C13H16N2O5 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O5/c1-3-20-13(17)7-6-12(16)14-11-5-4-10(15(18)19)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKey
AWGPZWOTFJEJAN-UHFFFAOYSA-N
Synonyms

CCOC(=O)CCC(=O)NC1=C(C=C(C=C1)(N+)(=O)(O))C
CCOC(=O)CCC(=O)Nc1ccc(cc1C)(N+)(=O)(O)
ETHYL3(N(2METHYL4NITROPHENYL)CARBAMOYL)PROPANOATE
ETHYL4((2METHYL4NITROPHENYL)AMINO)4OXOBUTANOATE
ETHYL4(2METHYL4NITROANILINO)4OXOBUTANOATE
ETHYL4(4NITRO2METHYLANILINO)4OXOBUTANOATE
InChI=1SC13H16N2O5c132013(17)7612(16)14115410(15(18)19)89(11)2h458H367H212H3(H1416)
MFCD02655636
STK069117
ZINC000004599229
ZINC04599229
ZINC4599229

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Available files

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