Vitas-M small molecule compound
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-(trifluoromethyl)phenyl]propanoate
Catalog ID
STL434512
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(cc1)C(F)(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 C18H17F3O6 MW 386.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3O6/c1-2-26-15(24)8-13(10-3-5-11(6-4-10)18(19,20)21)17-16(25)14(23)7-12(9-22)27-17/h3-7,13,22,25H,2,8-9H2,1H3InChIKey
APMGRJGDMSADRW-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)C(F)(F)F)C2=C(C(=O)C=C(O2)CO)O
ethyl3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)3(4(trifluoromethyl)phenyl)propanoate
ethyl3(3hydroxy6(hydroxymethyl)4oxopyran2yl)3(4(trifluoromethyl)phenyl)propanoate
InChI=1SC18H17F3O6c122615(24)813(103511(6410)18(1920)21)1716(25)14(23)712(922)2717h37132225H289H21H3
MFCD30711166
ZINC000096335754
ZINC000096335755
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