Vitas-M small molecule compound

1-(7,8-dinitro-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one

Catalog ID
STK015761
SMILES CCCC(=O)c1cc2OCCOc2c(c1[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 C12H12N2O7 MW 296.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3
InChIKey
LBZOLFRVNUXILI-UHFFFAOYSA-N
Synonyms

1(56DINITRO23DIHYDRO14BENZODIOXIN7YL)BUTAN1ONE
1(78DINITRO23DIHYDRO14BENZODIOXIN6YL)1BUTANONE
1(78DINITRO23DIHYDRO14BENZODIOXIN6YL)BUTAN1ONE
BUTAN1ONE1(23DIHYDRO78DINITRO14BENZODIOXIN6YL)
CCCC(=O)C1=CC2=C(C(=C1(N+)(=O)(O))(N+)(=O)(O))OCCO2
CCCC(=O)c1cc2OCCOc2c(c1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H12N2O7c1238(15)76912(2154209)11(14(18)19)10(7)13(16)17h6H25H21H3
MFCD02601796
STK015761
ZINC000004575659
ZINC04575659
ZINC4575659

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Available files

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