Vitas-M small molecule compound
ethyl 3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Catalog ID
STL251792
SMILES CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1c(C)nn(c1C)c1ccc(cc1)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 C22H23FN2O6 MW 430.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O6/c1-4-30-19(28)10-17(22-21(29)18(27)9-16(11-26)31-22)20-12(2)24-25(13(20)3)15-7-5-14(23)6-8-15/h5-9,17,26,29H,4,10-11H2,1-3H3InChIKey
NLGDRCHRSGOIFC-UHFFFAOYSA-NSynonyms
1351680-75-51351680755
CCOC(=O)CC(C1=C(N(N=C1C)C2=CC=C(C=C2)F)C)C3=C(C(=O)C=C(O3)CO)O
ethyl3(1(4fluorophenyl)35dimethyl1Hpyrazol4yl)3(3hydroxy6(hydroxymethyl)4oxo4Hpyran2yl)propanoate
ethyl3(1(4fluorophenyl)35dimethylpyrazol4yl)3(3hydroxy6(hydroxymethyl)4oxopyran2yl)propanoate
InChI=1SC22H23FN2O6c143019(28)1017(2221(29)18(27)916(1126)3122)2012(2)2425(13(20)3)157514(23)6815h59172629H41011H213H3
MFCD20537031
ZINC000072401989
ZINC000072401990
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