Vitas-M small molecule compound

6,7-diethoxy-1-(2-methoxyphenyl)-1,4-dihydro-3H-isochromen-3-one

Catalog ID
STK127286
SMILES CCOc1cc2c(cc1OCC)CC(=O)OC2c1ccccc1OC

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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 C20H22O5 MW 342.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O5/c1-4-23-17-10-13-11-19(21)25-20(15(13)12-18(17)24-5-2)14-8-6-7-9-16(14)22-3/h6-10,12,20H,4-5,11H2,1-3H3
InChIKey
TVCJJESLKFUKOR-UHFFFAOYSA-N
Synonyms
639005-77-9
639005779
67DIETHOXY1(2METHOXYPHENYL)14DIHYDRO3HISOCHROMEN3ONE
67DIETHOXY1(2METHOXYPHENYL)14DIHYDROISOCHROMEN3ONE
67diethoxy1(2methoxyphenyl)isochroman3one
CCOC1=C(C=C2C(OC(=O)CC2=C1)C3=CC=CC=C3OC)OCC
InChI=1SC20H22O5c14231710131119(21)2520(15(13)1218(17)2452)14867916(14)223h6101220H4511H213H3
MFCD03869824
ZINC000000544894
ZINC000000544895

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Available files

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