Vitas-M small molecule compound

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4,6-trihydroxyphenyl)ethanone

Catalog ID
STL512983
SMILES Oc1cc(O)c(c(c1)O)C(=O)Cc1ccc2c(c1)OCCCO2

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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 C17H16O6 MW 316.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16O6/c18-11-8-13(20)17(14(21)9-11)12(19)6-10-2-3-15-16(7-10)23-5-1-4-22-15/h2-3,7-9,18,20-21H,1,4-6H2
InChIKey
JRNMDVRPGUTXIV-UHFFFAOYSA-N
Synonyms
169903-78-0
169903780
2(34dihydro2~(H)15benzodioxepin7yl)1(246trihydroxyphenyl)ethanone
2(34DIHYDRO2H15BENZODIOXEPIN7YL)1(246TRIHYDROXYPHENYL)ETHAN1ONE
2(34dihydro2H15benzodioxepin7yl)1(246trihydroxyphenyl)ethanone
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)1(246trihydroxyphenyl)ethanone
764012
InChI=1SC17H16O6c1811813(20)17(14(21)911)12(19)610231516(710)235142215h2379182021H146H2
MFCD01235740
ZINC000000238479
ZINC238479

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Available files

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