Vitas-M small molecule compound

1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol

Catalog ID
STL146384
SMILES OCC1OC(C(C(C1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)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 C21H20O9 MW 416.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2
InChIKey
HKEAFJYKMMKDOR-UHFFFAOYSA-N
Synonyms
1214050-08-4
1214050084
15anhydro1(7hydroxy3(4hydroxyphenyl)4oxo4Hchromen8yl)hexitol
7HYDROXY3(4HYDROXYPHENYL)8(345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)CHROMEN4ONE
7HYDROXY3(4HYDROXYPHENYL)8(345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN2YL)4HCHROMEN4ONE
7HYDROXY3(4HYDROXYPHENYL)8(345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDROPYRAN2YL)CHROMEN4ONE
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
HEXITOL15ANHYDRO1C(7HYDROXY3(4HYDROXYPHENYL)4OXO4H1BENZOPYRAN8YL)
InChI=1SC21H20O9c2271417(26)18(27)19(28)21(3014)1513(24)651116(25)12(82920(11)15)91310(23)429h16814171921242628H7H2
MFCD03854203
PNERANIN
ZINC000085531720
ZINC000239309355

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Available files

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