Vitas-M small molecule compound

9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

Catalog ID
STL372993
SMILES COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O

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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 C21H20O8 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3
InChIKey
YVCVYCSAAZQOJI-UHFFFAOYSA-N
Synonyms
262297-97-2
262297972
5HYDROXY9(4HYDROXY35DIMETHOXYPHENYL)5A68A9TETRAHYDRO5H(2)BENZOFURO(56F)(13)BENZODIOXOL8ONE
5HYDROXY9(4HYDROXY35DIMETHOXYPHENYL)5A68A9TETRAHYDRO5HISOBENZOFURO(56F)(13)BENZODIOXOL8ONE
5HYDROXY9(4HYDROXY35DIMETHOXYPHENYL)5A68A9TETRAHYDRO5HISOBENZOFURO(65F)(13)BENZODIOXOL8ONE
9(35DIMETHOXY4OXIDANYLPHENYL)5OXIDANYL5A68A9TETRAHYDRO5H(2)BENZOFURO(56F)(13)BENZODIOXOL8ONE
9hydroxy5(4hydroxy35dimethoxyphenyl)588a9tetrahydrofuro(3467)naphtho(23d)(13)dioxol6(5aH)one
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
InChI=1SC21H20O8c1251539(416(262)20(15)23)171051314(2982813)611(10)19(22)1272721(24)18(12)17h361217192223H78H212H3
MFCD00266497
ZINC000000625862
ZINC000013783534

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Available files

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