Vitas-M small molecule compound

3,3'-{[4-(difluoromethoxy)-3-methoxyphenyl]methanediyl}bis(4-hydroxy-2H-chromen-2-one)

Catalog ID
STK364549
SMILES COc1cc(ccc1OC(F)F)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

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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 C27H18F2O8 MW 508.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F2O8/c1-34-19-12-13(10-11-18(19)37-27(28)29)20(21-23(30)14-6-2-4-8-16(14)35-25(21)32)22-24(31)15-7-3-5-9-17(15)36-26(22)33/h2-12,20,27,30-31H,1H3
InChIKey
LFPYQLAVHCQVIN-UHFFFAOYSA-N
Synonyms

3((4(DIFLUOROMETHOXY)3METHOXYPHENYL)(2HYDROXY4OXOCHROMEN3YL)METHYL)2HYDROXYCHROMEN4ONE
3((4(DIFLUOROMETHOXY)3METHOXYPHENYL)(4HYDROXY2OXOCHROMEN3YL)METHYL)4HYDROXYCHROMEN2ONE
33((4(DIFLUOROMETHOXY)3METHOXYPHENYL)METHANEDIYL)BIS(4HYDROXY2HCHROMEN2ONE)
COC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)OC(F)F
InChI=1SC27H18F2O8c134191213(101118(19)3727(28)29)20(2123(30)14624816(14)3525(21)32)2224(31)15735917(15)3626(22)33h21220273031H1H3
MFCD05661694
ZINC000009973228
ZINC09973228
ZINC9973228

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Available files

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