Vitas-M small molecule compound
methyl 3-(hexylcarbamoyl)-5-nitrobenzoate
Catalog ID
STK031888
SMILES CCCCCCNC(=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 C15H20N2O5 MW 308.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O5/c1-3-4-5-6-7-16-14(18)11-8-12(15(19)22-2)10-13(9-11)17(20)21/h8-10H,3-7H2,1-2H3,(H,16,18)InChIKey
DBRXTKCPKUBZPU-UHFFFAOYSA-NSynonyms
329932-00-5329932005
CCCCCCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCCCCNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC15H20N2O5c1345671614(18)11812(15(19)222)1013(911)17(20)21h810H37H212H3(H1618)
METHYL3(HEXYLCARBAMOYL)5NITROBENZOATE
METHYL5(NHEXYLCARBAMOYL)3NITROBENZOATE
MFCD01196959
STK031888
ZINC000004603949
ZINC04603949
ZINC4603949
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.