Vitas-M small molecule compound
methyl 3-(4-fluorophenyl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL434579
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1ccc(cc1)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 C22H18F2O5S MW 432.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2O5S/c1-28-20(26)11-18(13-2-4-14(23)5-3-13)22-21(27)19(25)10-16(29-22)12-30-17-8-6-15(24)7-9-17/h2-10,18,27H,11-12H2,1H3InChIKey
AJWVXZBQWDYRHQ-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC=C(C=C1)F)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O
InChI=1SC22H18F2O5Sc12820(26)1118(132414(23)5313)2221(27)19(25)1016(2922)1230178615(24)7917h2101827H1112H21H3
methyl3(4fluorophenyl)3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(4fluorophenyl)3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)propanoate
MFCD30711227
ZINC000096335861
ZINC000096335862
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