Vitas-M small molecule compound

3-(4-methoxyphenyl)-1H-isochromen-1-one

Catalog ID
STK927756
SMILES COc1ccc(cc1)c1cc2ccccc2c(=O)o1

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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 C16H12O3 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12O3/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16(17)19-15/h2-10H,1H3
InChIKey
LCTOHXUIVJEHSV-UHFFFAOYSA-N
Synonyms
29910-92-7
1H2BENZOPYRAN1ONE3(4METHOXYPHENYL)
29910927
3(4methoxyphenyl)1Hisochromen1one
3(4METHOXYPHENYL)2BENZOPYRAN1ONE
3(4METHOXYPHENYL)ISOCHROMEN1ONE
3(4METHOXYPHENYL)ISOCOUMARIN
COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2
InChI=1SC16H12O3c118138611(7913)151012423514(12)16(17)1915h210H1H3
MFCD01208008
ZINC000000485839
ZINC00485839
ZINC485839

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Available files

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