Vitas-M small molecule compound

8-{[benzyl(methyl)amino]methyl}-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4H-chromen-4-one

Catalog ID
STK921697
SMILES CN(Cc1c(O)ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2)Cc1ccccc1

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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 C26H23NO5 MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5/c1-27(14-17-5-3-2-4-6-17)15-20-22(28)9-8-19-25(29)21(16-32-26(19)20)18-7-10-23-24(13-18)31-12-11-30-23/h2-10,13,16,28H,11-12,14-15H2,1H3
InChIKey
LXWQPBIBLNDYSX-UHFFFAOYSA-N
Synonyms
845627-27-2
3(2H3HBENZO(34E)14DIOXAN6YL)7HYDROXY8((METHYLBENZYLAMINO)METHYL)CHROMEN4ONE
8((benzyl(methyl)amino)methyl)3(23dihydro14benzodioxin6yl)7hydroxy4Hchromen4one
8((BENZYL(METHYL)AMINO)METHYL)3(23DIHYDRO14BENZODIOXIN6YL)7HYDROXYCHROMEN4ONE
8((BENZYL(METHYL)AMINO)METHYL)3(23DIHYDROBENZO(B)(14)DIOXIN6YL)7HYDROXY4HCHROMEN4ONE
8((BENZYL(METHYL)AZANIUMYL)METHYL)3(23DIHYDRO14BENZODIOXIN6YL)4OXOCHROMEN7OLATE
845627272
C(NH+)(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)(O)
InChI=1SC26H23NO5c127(14175324617)152022(28)981925(29)21(163226(19)20)187102324(1318)3112113023h210131628H11121415H21H3
MFCD04165859
ZINC000009360963
ZINC9360963

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Available files

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