Vitas-M small molecule compound

methyl 3-nitro-5-(propylcarbamoyl)benzoate

Catalog ID
STK087995
SMILES CCCNC(=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 C12H14N2O5 MW 266.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O5/c1-3-4-13-11(15)8-5-9(12(16)19-2)7-10(6-8)14(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKey
AQEPFPYIQFJMJO-UHFFFAOYSA-N
Synonyms
329931-92-2
329931922
CCCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC12H14N2O5c1341311(15)859(12(16)192)710(68)14(17)18h57H34H212H3(H1315)
METHYL3NITRO5(NPROPYLCARBAMOYL)BENZOATE
METHYL3NITRO5(PROPYLCARBAMOYL)BENZOATE
MFCD01196941
STK087995
ZINC000004673179
ZINC04673179
ZINC4673179

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Available files

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