Vitas-M small molecule compound

methyl 3-(diethylcarbamoyl)-5-nitrobenzoate

Catalog ID
STK032459
SMILES CCN(C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC)CC

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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/c1-4-14(5-2)12(16)9-6-10(13(17)20-3)8-11(7-9)15(18)19/h6-8H,4-5H2,1-3H3
InChIKey
UQABZXXYFFMJLL-UHFFFAOYSA-N
Synonyms
35244-79-2
35244792
CCN(C(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)OC)CC
CCN(CC)C(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
InChI=1SC13H16N2O5c1414(52)12(16)9610(13(17)203)811(79)15(18)19h68H45H213H3
METHYL3(DIETHYLCARBAMOYL)5NITROBENZOATE
METHYL3(NNDIETHYLCARBAMOYL)5NITROBENZOATE
MFCD01196961
STK032459
ZINC000000060835
ZINC00060835
ZINC60835

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Available files

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