Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
Catalog ID
STL434514
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cc(OC)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 C19H20O9 MW 392.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20O9/c1-3-25-16(22)7-12(18-17(23)13(21)6-11(8-20)28-18)10-4-14(24-2)19-15(5-10)26-9-27-19/h4-6,12,20,23H,3,7-9H2,1-2H3InChIKey
OEMRCFBSZRAROU-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC2=C(C(=C1)OC)OCO2)C3=C(C(=O)C=C(O3)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(7methoxy13benzodioxol5yl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(7methoxy13benzodioxol5yl)propanoate
InChI=1SC19H20O9c132516(22)712(1817(23)13(21)611(820)2818)10414(242)1915(510)2692719h46122023H379H212H3
MFCD30711168
ZINC000096335758
ZINC000096335759
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