Vitas-M small molecule compound

ethyl 2-[2-(acetylamino)-4-nitrophenoxy]propanoate

Catalog ID
STK736660
SMILES CCOC(=O)C(Oc1ccc(cc1NC(=O)C)[N+](=O)[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 C13H16N2O6 MW 296.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O6/c1-4-20-13(17)8(2)21-12-6-5-10(15(18)19)7-11(12)14-9(3)16/h5-8H,4H2,1-3H3,(H,14,16)
InChIKey
JDFBAXUKYYSTDS-UHFFFAOYSA-N
Synonyms
893780-18-2
893780182
CCOC(=O)C(C)OC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C
CCOC(=O)C(Oc1ccc(cc1NC(=O)C)(N+)(=O)(O))C
ethyl2(2(acetylamino)4nitrophenoxy)propanoate
ETHYL2(2ACETAMIDO4NITROPHENOXY)PROPANOATE
InChI=1SC13H16N2O6c142013(17)8(2)21126510(15(18)19)711(12)149(3)16h58H4H213H3(H1416)
MFCD08142272
ZINC000006668207
ZINC000006668208

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Available files

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