Vitas-M small molecule compound
ethyl 3-(7-chloro-1,3-benzodioxol-5-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL245750
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cc(Cl)c2c(c1)OCO2
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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 C18H17ClO8 MW 396.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClO8/c1-2-24-15(22)6-11(17-16(23)13(21)5-10(7-20)27-17)9-3-12(19)18-14(4-9)25-8-26-18/h3-5,11,20,23H,2,6-8H2,1H3InChIKey
JAGAVIWXVMNUDW-UHFFFAOYSA-NSynonyms
1324087-66-21324087662
CCOC(=O)CC(C1=CC2=C(C(=C1)Cl)OCO2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(7chloro13benzodioxol5yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(7chloro13benzodioxol5yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
ethyl3(7chlorobenzo(d)(13)dioxol5yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
InChI=1SC18H17ClO8c122415(22)611(1716(23)13(21)510(720)2717)9312(19)1814(49)2582618h35112023H268H21H3
MFCD19711382
ZINC000071284862
ZINC000071284863
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