Vitas-M small molecule compound
ethyl 3-(3,4-difluorophenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL434513
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(c(c1)F)F
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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 C17H16F2O6 MW 354.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F2O6/c1-2-24-15(22)7-11(9-3-4-12(18)13(19)5-9)17-16(23)14(21)6-10(8-20)25-17/h3-6,11,20,23H,2,7-8H2,1H3InChIKey
OLPNGGVYZUTSON-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC(=C(C=C1)F)F)C2=C(C(=O)C=C(O2)CO)O
ethyl3(34difluorophenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(34difluorophenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H16F2O6c122415(22)711(93412(18)13(19)59)1716(23)14(21)610(820)2517h36112023H278H21H3
MFCD30711167
ZINC000096335756
ZINC000096335757
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