Vitas-M small molecule compound

methyl {[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-4H-chromen-7-yl]oxy}acetate

Catalog ID
STL512954
SMILES CCCc1cc2c(cc1OCC(=O)OC)occ(c2=O)c1ccc2c(c1)OCO2

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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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-3-4-14-7-15-19(9-18(14)27-11-21(23)25-2)26-10-16(22(15)24)13-5-6-17-20(8-13)29-12-28-17/h5-10H,3-4,11-12H2,1-2H3
InChIKey
NNOQXTZBOCAPIN-UHFFFAOYSA-N
Synonyms
227094-48-6
1778997
227094486
InChI=1SC22H20O7c1341471519(918(14)271121(23)252)261016(22(15)24)13561720(813)29122817h510H341112H212H3
methyl((3(13benzodioxol5yl)4oxo6propyl4Hchromen7yl)oxy)acetate
METHYL2((3(BENZO(D)(13)DIOXOL5YL)4OXO6PROPYL4HCHROMEN7YL)OXY)ACETATE
METHYL2(3(13BENZODIOXOL5YL)4OXO6PROPYLCHROMEN7YL)OXYACETATE
MFCD00525176
ZINC000002124288
ZINC2124288

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Available files

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