Vitas-M small molecule compound

methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(2,3,4-trifluorophenyl)propanoate

Catalog ID
STL315990
SMILES COC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1F)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 C16H13F3O5 MW 342.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3O5/c1-7-5-11(20)15(22)16(24-7)9(6-12(21)23-2)8-3-4-10(17)14(19)13(8)18/h3-5,9,22H,6H2,1-2H3
InChIKey
XWNVLNCFCOYCMF-UHFFFAOYSA-N
Synonyms
1574308-94-3
1574308943
CC1=CC(=O)C(=C(O1)C(CC(=O)OC)C2=C(C(=C(C=C2)F)F)F)O
InChI=1SC16H13F3O5c17511(20)15(22)16(247)9(612(21)232)83410(17)14(19)13(8)18h35922H6H212H3
methyl3(3hydroxy6methyl4oxo4Hpyran2yl)3(234trifluorophenyl)propanoate
methyl3(3hydroxy6methyl4oxopyran2yl)3(234trifluorophenyl)propanoate
MFCD28027563
ZINC000095477432
ZINC000095477433

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.