Vitas-M small molecule compound

methyl 3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-4-methylpentanoate

Catalog ID
STL317396
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)C(C)C

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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 C19H20F2O5S MW 398.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F2O5S/c1-10(2)13(8-17(23)25-3)19-18(24)15(22)7-12(26-19)9-27-16-5-4-11(20)6-14(16)21/h4-7,10,13,24H,8-9H2,1-3H3
InChIKey
WGQBBGVUEIIGBY-UHFFFAOYSA-N
Synonyms
1441902-93-7
1441902937
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=C(C=C(C=C2)F)F)O
InChI=1SC19H20F2O5Sc110(2)13(817(23)253)1918(24)15(22)712(2619)927165411(20)614(16)21h47101324H89H213H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6(((24difluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)4methylpentanoate
MFCD28028354
ZINC000095478505
ZINC000095478506

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Available files

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