Vitas-M small molecule compound

2,4-dinitro-N-pentylbenzamide

Catalog ID
STK468425
SMILES CCCCCNC(=O)c1ccc(cc1[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 C12H15N3O5 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O5/c1-2-3-4-7-13-12(16)10-6-5-9(14(17)18)8-11(10)15(19)20/h5-6,8H,2-4,7H2,1H3,(H,13,16)
InChIKey
JNMDHISQGQNHJO-UHFFFAOYSA-N
Synonyms

(24DINITROPHENYL)NPENTYLCARBOXAMIDE
24dinitroNpentylbenzamide
CCCCCNC(=O)C1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O)
CCCCCNC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H15N3O5c123471312(16)10659(14(17)18)811(10)15(19)20h568H247H21H3(H1316)
MFCD03378367
ZINC000006042327
ZINC06042327
ZINC6042327

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Available files

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