Vitas-M small molecule compound

N,N-diethyl-4-methyl-3,5-dinitrobenzamide

Catalog ID
STK365720
SMILES CCN(C(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)CC

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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 C12H15N3O5 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O5/c1-4-13(5-2)12(16)9-6-10(14(17)18)8(3)11(7-9)15(19)20/h6-7H,4-5H2,1-3H3
InChIKey
URMZFWSSVYBSTC-UHFFFAOYSA-N
Synonyms
28420-81-7
28420817
CCN(C(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)CC
CCN(CC)C(=O)C1=CC(=C(C(=C1)(N+)(=O)(O))C)(N+)(=O)(O)
InChI=1SC12H15N3O5c1413(52)12(16)9610(14(17)18)8(3)11(79)15(19)20h67H45H213H3
MFCD00426663
NNDIETHYL(4METHYL35DINITROPHENYL)CARBOXAMIDE
NNdiethyl4methyl35dinitrobenzamide
ZINC000002831442
ZINC02831442
ZINC2831442

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Available files

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