Vitas-M small molecule compound

3-(5-acetyl-2,4-dihydroxyphenyl)-2-benzofuran-1(3H)-one

Catalog ID
STK965001
SMILES Oc1cc(O)c(cc1C1OC(=O)c2c1cccc2)C(=O)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 C16H12O5 MW 284.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12O5/c1-8(17)11-6-12(14(19)7-13(11)18)15-9-4-2-3-5-10(9)16(20)21-15/h2-7,15,18-19H,1H3
InChIKey
JARRAHSMRNISAM-UHFFFAOYSA-N
Synonyms
676249-59-5
3(5acetyl24dihydroxyphenyl)2benzofuran1(3H)one
3(5ACETYL24DIHYDROXYPHENYL)3H2BENZOFURAN1ONE
676249595
CC(=O)C1=CC(=C(C=C1O)O)C2C3=CC=CC=C3C(=O)O2
InChI=1SC16H12O5c18(17)11612(14(19)713(11)18)159423510(9)16(20)2115h27151819H1H3
MFCD04045966
ZINC000002787560
ZINC000002787561

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Available files

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