Vitas-M small molecule compound

1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one

Catalog ID
STK695650
SMILES [O-][N+](=O)c1cc2OCCOc2cc1C(=O)CCCC

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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 C13H15NO5 MW 265.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO5/c1-2-3-4-11(15)9-7-12-13(19-6-5-18-12)8-10(9)14(16)17/h7-8H,2-6H2,1H3
InChIKey
GYPOEXBKGJBPHA-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2OCCOc2cc1C(=O)CCCC
1(6nitro23dihydro14benzodioxin7yl)pentan1one
1(7nitro23dihydro14benzodioxin6yl)pentan1one
CCCCC(=O)C1=CC2=C(C=C1(N+)(=O)(O))OCCO2
InChI=1SC13H15NO5c123411(15)971213(19651812)810(9)14(16)17h78H26H21H3
MFCD18075435
ZINC000036559253
ZINC36559253

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Available files

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