Vitas-M small molecule compound

3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-((2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid

Catalog ID
STL566070
SMILES OCC1O[C@H](C(C([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)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 C22H20O13 MW 492.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7?,14-,19?,20?,21-/m1/s1
InChIKey
DGQLVPJVXFOQEV-ZZNIRWLFSA-N
Synonyms

23637243
3568tetrahydroxy1methyl910dioxo7((2R3R4R5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)910dihydroanthracene2carboxylicacid
3568tetrahydroxy1methyl910dioxo7((2R5S)345trihydroxy6(hydroxymethyl)oxan2yl)anthracene2carboxylicacid
InChI=1SC22H20O13c1485(26(24)9(4)22(33)34)13(25)1011(15(8)27)16(28)12(18(30)17(10)29)2120(32)19(31)14(26)7(323)3521h271419212324262832H3H21H3(H3334)t7?1419?20?21m1s1
MFCD32651828
OCC1O(C@@H)(C(C((C@@H)1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O
ZINC000004099037
ZINC000105393198

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Available files

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