Vitas-M small molecule compound

N-butyl-3,5-dinitrobenzamide

Catalog ID
STK093948
SMILES CCCCNC(=O)c1cc(cc(c1)[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/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7H,2-4H2,1H3,(H,12,15)
InChIKey
FGIFCTOQWKVMBH-UHFFFAOYSA-N
Synonyms
2782-41-4
(35DINITROPHENYL)NBUTYLCARBOXAMIDE
2782414
BENZAMIDENBUTYL35DINITRO
CCCCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))(N+)(=O)(O)
CCCCNC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC11H13N3O5c12341211(15)859(13(16)17)710(68)14(18)19h57H24H21H3(H1215)
MFCD00776251
NBUTYL35DINITROBENZAMIDE
STK093948
ZINC000001594512
ZINC01594512
ZINC1594512

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Available files

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