Vitas-M small molecule compound

cyclopropyl(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Catalog ID
STK250110
SMILES [O-][N+](=O)c1cc2OCCOc2cc1C(=O)C1CC1

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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 C12H11NO5 MW 249.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO5/c14-12(7-1-2-7)8-5-10-11(18-4-3-17-10)6-9(8)13(15)16/h5-7H,1-4H2
InChIKey
IGRBJPKAWMALAS-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2OCCOc2cc1C(=O)C1CC1
C1CC1C(=O)C2=CC3=C(C=C2(N+)(=O)(O))OCCO3
cyclopropyl(6nitro23dihydro14benzodioxin7yl)methanone
cyclopropyl(7nitro23dihydro14benzodioxin6yl)methanone
CYCLOPROPYL7NITRO(2H3HBENZO(E)14DIOXIN6YL)KETONE
InChI=1SC12H11NO5c1412(7127)851011(18431710)69(8)13(15)16h57H14H2
MFCD08685671
ZINC000009028535
ZINC09028535
ZINC9028535

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Available files

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