Vitas-M small molecule compound

1-(2-methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone

Catalog ID
STK326592
SMILES [O-][N+](=O)c1cc2c(C(=O)C)c(oc2c(c1)[N+](=O)[O-])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 C11H8N2O6 MW 264.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N2O6/c1-5(14)10-6(2)19-11-8(10)3-7(12(15)16)4-9(11)13(17)18/h3-4H,1-2H3
InChIKey
JSHZLEOHERCGDT-UHFFFAOYSA-N
Synonyms
351983-50-1
(O)(N+)(=O)c1cc2c(C(=O)C)c(oc2c(c1)(N+)(=O)(O))C
1(2METHYL57DINITRO1BENZOFURAN3YL)ETHANONE
351983501
CC1=C(C2=CC(=CC(=C2O1)(N+)(=O)(O))(N+)(=O)(O))C(=O)C
InChI=1SC11H8N2O6c15(14)106(2)19118(10)37(12(15)16)49(11)13(17)18h34H12H3
MFCD00429646
ZINC000003157102
ZINC03157102
ZINC3157102

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Available files

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