Vitas-M small molecule compound

2-methyl-3,5-dinitro-N-propylbenzamide

Catalog ID
STK066579
SMILES CCCNC(=O)c1cc(cc(c1C)[N+](=O)[O-])[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 C11H13N3O5 MW 267.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O5/c1-3-4-12-11(15)9-5-8(13(16)17)6-10(7(9)2)14(18)19/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKey
UDIGNCRXOKKDNA-UHFFFAOYSA-N
Synonyms
349424-98-2
(2METHYL35DINITROPHENYL)NPROPYLCARBOXAMIDE
2METHYL35DINITRONPROPYLBENZAMIDE
349424982
CCCNC(=O)C1=CC(=CC(=C1C)(N+)(=O)(O))(N+)(=O)(O)
CCCNC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC11H13N3O5c1341211(15)958(13(16)17)610(7(9)2)14(18)19h56H34H212H3(H1215)
MFCD02860560
STK066579
ZINC000004508233
ZINC04508233
ZINC4508233

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Available files

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