Vitas-M small molecule compound

methyl 3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(furan-2-yl)propanoate

Catalog ID
STL309008
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1ccco1

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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 C20H17FO6S MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FO6S/c1-25-18(23)10-15(17-3-2-8-26-17)20-19(24)16(22)9-13(27-20)11-28-14-6-4-12(21)5-7-14/h2-9,15,24H,10-11H2,1H3
InChIKey
FNQGRMQYUHFCHU-UHFFFAOYSA-N
Synonyms
1574359-79-7
1574359797
COC(=O)CC(C1=CC=CO1)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O
InChI=1SC20H17FO6Sc12518(23)1015(173282617)2019(24)16(22)913(2720)1128146412(21)5714h291524H1011H21H3
methyl3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(furan2yl)propanoate
methyl3(6(((4fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(furan2yl)propanoate
methyl3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(furan2yl)propanoate
MFCD28028687
ZINC000095472260
ZINC000095472261

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Available files

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