Vitas-M small molecule compound

2,2'-[(7-chloro-1,3-benzodioxol-5-yl)methanediyl]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one]

Catalog ID
STL521577
SMILES OCc1cc(=O)c(c(o1)C(c1oc(CO)cc(=O)c1O)c1cc(Cl)c2c(c1)OCO2)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 C20H15ClO10 MW 450.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClO10/c21-11-1-8(2-14-18(11)29-7-28-14)15(19-16(26)12(24)3-9(5-22)30-19)20-17(27)13(25)4-10(6-23)31-20/h1-4,15,22-23,26-27H,5-7H2
InChIKey
PAZAKRHAZNYQHO-UHFFFAOYSA-N
Synonyms
1574479-85-8
1574479858
2((7chloro13benzodioxol5yl)(3hydroxy6(hydroxymethyl)4oxopyran2yl)methyl)3hydroxy6(hydroxymethyl)pyran4one
22((7chloro13benzodioxol5yl)methanediyl)bis(3hydroxy6(hydroxymethyl)4Hpyran4one)
66((7CHLOROBENZO(D)(13)DIOXOL5YL)METHYLENE)BIS(5HYDROXY2(HYDROXYMETHYL)4HPYRAN4ONE)
71827313
InChI=1SC20H15ClO10c211118(21418(11)2972814)15(1916(26)12(24)39(522)3019)2017(27)13(25)410(623)3120h141522232627H57H2
MFCD28050652
ZINC000096113856
ZINC96113856

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Available files

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