Vitas-M small molecule compound

methyl 3-(butylcarbamoyl)-5-nitrobenzoate

Catalog ID
STK089968
SMILES CCCCNC(=O)c1cc(cc(c1)C(=O)OC)[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/c1-3-4-5-14-12(16)9-6-10(13(17)20-2)8-11(7-9)15(18)19/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKey
FQYCJQCBPOHPMQ-UHFFFAOYSA-N
Synonyms
328284-58-8
328284588
CCCCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCCNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC13H16N2O5c13451412(16)9610(13(17)202)811(79)15(18)19h68H35H212H3(H1416)
METHYL3(BUTYLCARBAMOYL)5NITROBENZOATE
METHYL5(NBUTYLCARBAMOYL)3NITROBENZOATE
MFCD01196958
STK089968
ZINC000004673404
ZINC04673404
ZINC4673404

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Available files

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