Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-methoxybenzyl)oxy]-6-propyl-4H-chromen-4-one

Catalog ID
STK888510
SMILES CCCc1cc2c(cc1OCc1ccc(cc1)OC)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C28H26O6 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26O6/c1-3-4-20-13-22-26(15-25(20)33-16-18-5-8-21(30-2)9-6-18)34-17-23(28(22)29)19-7-10-24-27(14-19)32-12-11-31-24/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3
InChIKey
JBVOUIPUTRETSL-UHFFFAOYSA-N
Synonyms
610752-01-7
3(23dihydro14benzodioxin6yl)7((4methoxybenzyl)oxy)6propyl4Hchromen4one
3(23DIHYDRO14BENZODIOXIN6YL)7((4METHOXYPHENYL)METHOXY)6PROPYLCHROMEN4ONE
3(23dihydrobenzo(b)(14)dioxin6yl)7((4methoxybenzyl)oxy)6propyl4Hchromen4one
3(2H3HBENZO(34E)14DIOXAN6YL)7((4METHOXYPHENYL)METHOXY)6PROPYLCHROMEN4ONE
610752017
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC5=CC=C(C=C5)OC
InChI=1SC28H26O6c13420132226(1525(20)3316185821(302)9618)341723(28(22)29)197102427(1419)3212113124h510131517H34111216H212H3
MFCD03660924
ZINC000001322817
ZINC01322817
ZINC1322817

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Available files

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