Vitas-M small molecule compound
methyl 4-[1-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoate
Catalog ID
STL434594
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1ccc(cc1)C(=O)OC
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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 C24H20F2O7S MW 490.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F2O7S/c1-31-21(28)11-17(13-3-5-14(6-4-13)24(30)32-2)23-22(29)19(27)10-16(33-23)12-34-20-8-7-15(25)9-18(20)26/h3-10,17,29H,11-12H2,1-2H3InChIKey
ROVPZEPJTDZXEI-UHFFFAOYSA-NSynonyms
COC(=O)CC(C1=CC=C(C=C1)C(=O)OC)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O
InChI=1SC24H20F2O7Sc13121(28)1117(133514(6413)24(30)322)2322(29)19(27)1016(3323)1234208715(25)918(20)26h3101729H1112H212H3
methyl4(1(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3methoxy3oxopropyl)benzoate
methyl4(1(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3methoxy3oxopropyl)benzoate
MFCD30711242
ZINC000096335883
ZINC000096335884
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