Vitas-M small molecule compound

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

Catalog ID
STL317038
SMILES COC(=O)CC(c1oc(CSc2ccccc2F)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 C19H21FO5S MW 380.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21FO5S/c1-11(2)13(9-17(22)24-3)19-18(23)15(21)8-12(25-19)10-26-16-7-5-4-6-14(16)20/h4-8,11,13,23H,9-10H2,1-3H3
InChIKey
GOLPJQPSMKAQMG-UHFFFAOYSA-N
Synonyms
1435901-34-0
1435901340
CC(C)C(CC(=O)OC)C1=C(C(=O)C=C(O1)CSC2=CC=CC=C2F)O
InChI=1SC19H21FO5Sc111(2)13(917(22)243)1918(23)15(21)812(2519)102616754614(16)20h48111323H910H213H3
methyl3(6(((2fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6(((2fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)4methylpentanoate
methyl3(6((2fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)4methylpentanoate
MFCD23139147
ZINC000095478205
ZINC000095478206

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Available files

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