Vitas-M small molecule compound

2,4-dinitro-N,N-di(propan-2-yl)benzamide

Catalog ID
STK468439
SMILES CC(N(C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)C)C

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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 C13H17N3O5 MW 295.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O5/c1-8(2)14(9(3)4)13(17)11-6-5-10(15(18)19)7-12(11)16(20)21/h5-9H,1-4H3
InChIKey
DWLKHLWCYIAIIL-UHFFFAOYSA-N
Synonyms

(24DINITROPHENYL)NNBIS(METHYLETHYL)CARBOXAMIDE
24dinitroNNdi(propan2yl)benzamide
CC(C)N(C(C)C)C(=O)C1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O)
CC(N(C(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(C)C)C
InChI=1SC13H17N3O5c18(2)14(9(3)4)13(17)116510(15(18)19)712(11)16(20)21h59H14H3
MFCD00594854
ZINC000003196689
ZINC03196689
ZINC3196689

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Available files

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