Vitas-M small molecule compound

1,5-anhydro-1-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]hexitol

Catalog ID
STL146381
SMILES OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1

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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 C21H22O9 MW 418.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2
InChIKey
AFHJQYHRLPMKHU-UHFFFAOYSA-N
Synonyms
20226-90-8
15anhydro1(45dihydroxy2(hydroxymethyl)10oxo910dihydroanthracen9yl)hexitol
18DIHYDROXY3(HYDROXYMETHYL)10(345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)10HANTHRACEN9ONE
18DIHYDROXY3(HYDROXYMETHYL)10(345TRIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN2YL)ANTHRACEN9(10H)ONE
20226908
ANTHRONE8DIHYDROXY3(HYDROXYMETHYL)
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2C4C(C(C(C(O4)CO)O)O)O)CO)O
InChI=1SC21H22O9c226841014(2120(29)19(28)17(26)13(723)3021)921311(24)15(9)18(27)16(10)12(25)58h1513141719262829H67H2
MFCD00090849
ZINC000044167007
ZINC000242390219

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Available files

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