Vitas-M small molecule compound
methyl 3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate
Catalog ID
STL313937
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1ccc(cc1)O
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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 C22H18F2O6S MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2O6S/c1-29-20(27)10-16(12-2-5-14(25)6-3-12)22-21(28)18(26)9-15(30-22)11-31-19-7-4-13(23)8-17(19)24/h2-9,16,25,28H,10-11H2,1H3InChIKey
PCKIXFWSKBWUIB-UHFFFAOYSA-NSynonyms
1574474-25-11574474251
COC(=O)CC(C1=CC=C(C=C1)O)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O
InChI=1SC22H18F2O6Sc12920(27)1016(122514(25)6312)2221(28)18(26)915(3022)1131197413(23)817(19)24h29162528H1011H21H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(6(((24difluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(4hydroxyphenyl)propanoate
MFCD28030410
ZINC000095475979
ZINC000095475980
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