Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-methoxyphenyl)propanoate
Catalog ID
STL159668
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cccc(c1)OC
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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 C18H20O7 MW 348.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20O7/c1-3-24-16(21)9-14(11-5-4-6-12(7-11)23-2)18-17(22)15(20)8-13(10-19)25-18/h4-8,14,19,22H,3,9-10H2,1-2H3InChIKey
SWRHXKNERIPEFX-UHFFFAOYSA-NSynonyms
1324077-28-21324077282
CCOC(=O)CC(C1=CC(=CC=C1)OC)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(3methoxyphenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(3methoxyphenyl)propanoate
InChI=1SC18H20O7c132416(21)914(1154612(711)232)1817(22)15(20)813(1019)2518h48141922H3910H212H3
MFCD19708739
ZINC000071280110
ZINC000071280111
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