Vitas-M small molecule compound
ethyl 3-(2-chloro-4-fluorophenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL161905
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1ccc(cc1Cl)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 C17H16ClFO6 MW 370.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClFO6/c1-2-24-15(22)7-12(11-4-3-9(19)5-13(11)18)17-16(23)14(21)6-10(8-20)25-17/h3-6,12,20,23H,2,7-8H2,1H3InChIKey
SMBCYDNBVMCPHW-UHFFFAOYSA-NSynonyms
1324078-84-31324078843
CCOC(=O)CC(C1=C(C=C(C=C1)F)Cl)C2=C(C(=O)C=C(O2)CO)O
ethyl3(2chloro4fluorophenyl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(2chloro4fluorophenyl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC17H16ClFO6c122415(22)712(11439(19)513(11)18)1716(23)14(21)610(820)2517h36122023H278H21H3
MFCD19709895
ZINC000071282739
ZINC000071282740
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