Vitas-M small molecule compound
ethyl 3-(1,3-benzodioxol-5-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL156426
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc2c(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 C18H18O8 MW 362.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18O8/c1-2-23-16(21)7-12(10-3-4-14-15(5-10)25-9-24-14)18-17(22)13(20)6-11(8-19)26-18/h3-6,12,19,22H,2,7-9H2,1H3InChIKey
DZZAKSJWLCMAGJ-UHFFFAOYSA-NSynonyms
1324091-30-61324091306
CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(13benzodioxol5yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(13benzodioxol5yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
ethyl3(benzo(d)(13)dioxol5yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
InChI=1SC18H18O8c122316(21)712(10341415(510)2592414)1817(22)13(20)611(819)2618h36121922H279H21H3
MFCD19708769
ZINC000071280154
ZINC000071280155
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