Vitas-M small molecule compound

9-(2,4-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK868540
SMILES COc1ccc(c(c1)OC)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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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 C21H22O5 MW 354.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O5/c1-24-12-9-10-13(18(11-12)25-2)19-20-14(22)5-3-7-16(20)26-17-8-4-6-15(23)21(17)19/h9-11,19H,3-8H2,1-2H3
InChIKey
ZWUTYKOBVGBFIV-UHFFFAOYSA-N
Synonyms
314048-47-0
314048470
9(24dimethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(24dimethoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=CC(=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC
InChI=1SC21H22O5c1241291013(18(1112)252)192014(22)53716(20)261784615(23)21(17)19h91119H38H212H3
MFCD00775534
ZINC000001506547
ZINC01506547
ZINC1506547

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Available files

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