Vitas-M small molecule compound
methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)-4H-pyran-2-yl]-3-(3,4,5-trifluorophenyl)propanoate
Catalog ID
STL491376
SMILES COC(=O)CC(c1oc(CN2CCCCC2)cc(=O)c1O)c1cc(F)c(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 C21H22F3NO5 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO5/c1-29-18(27)10-14(12-7-15(22)19(24)16(23)8-12)21-20(28)17(26)9-13(30-21)11-25-5-3-2-4-6-25/h7-9,14,28H,2-6,10-11H2,1H3InChIKey
WWQJCOWKOFBPAG-UHFFFAOYSA-NSynonyms
1630905-45-11630905451
COC(=O)CC(C1=CC(=C(C(=C1)F)F)F)C2=C(C(=O)C=C(O2)CN3CCCCC3)O
InChI=1SC21H22F3NO5c12918(27)1014(12715(22)19(24)16(23)812)2120(28)17(26)913(3021)11255324625h791428H261011H21H3
methyl3(3hydroxy4oxo6(piperidin1ylmethyl)4Hpyran2yl)3(345trifluorophenyl)propanoate
methyl3(3hydroxy4oxo6(piperidin1ylmethyl)pyran2yl)3(345trifluorophenyl)propanoate
MFCD28368068
ZINC000218360752
ZINC000218360847
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