Vitas-M small molecule compound

methyl 3-acetyl-1-oxo-3,4-dihydro-1H-isochromene-6-carboxylate

Catalog ID
STL022590
SMILES COC(=O)c1ccc2c(c1)CC(OC2=O)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 C13H12O5 MW 248.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12O5/c1-7(14)11-6-9-5-8(12(15)17-2)3-4-10(9)13(16)18-11/h3-5,11H,6H2,1-2H3
InChIKey
ZQHUYFLNNXIOGK-UHFFFAOYSA-N
Synonyms

CC(=O)C1CC2=C(C=CC(=C2)C(=O)OC)C(=O)O1
InChI=1SC13H12O5c17(14)116958(12(15)172)3410(9)13(16)1811h3511H6H212H3
methyl3acetyl1oxo34dihydro1Hisochromene6carboxylate
methyl3acetyl1oxo34dihydroisochromene6carboxylate
METHYL3ACETYL1OXOISOCHROMANE6CARBOXYLATE
MFCD07429115
ZINC000005032214
ZINC000005032215

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Available files

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