Vitas-M small molecule compound
2,2-dimethyl-5,6-dinitro-1,3-benzodioxole
Catalog ID
STL115507
SMILES [O-][N+](=O)c1cc2OC(Oc2cc1[N+](=O)[O-])(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 C9H8N2O6 MW 240.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O6/c1-9(2)16-7-3-5(10(12)13)6(11(14)15)4-8(7)17-9/h3-4H,1-2H3InChIKey
PMYSRAAYCZPNHT-UHFFFAOYSA-NSynonyms
54186-71-9(O)(N+)(=O)c1cc2OC(Oc2cc1(N+)(=O)(O))(C)C
13BENZODIOXOLE22DIMETHYL56DINITRO
22dimethyl56dinitro13benzodioxole
54186719
CC1(OC2=C(O1)C=C(C(=C2)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC9H8N2O6c19(2)16735(10(12)13)6(11(14)15)48(7)179h34H12H3
MFCD01463455
ZINC000004127839
ZINC04127839
ZINC4127839
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