Vitas-M small molecule compound
methyl 3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-methoxyphenyl)propanoate
Catalog ID
STL434589
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1ccc(cc1)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 C23H20F2O6S MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F2O6S/c1-29-15-6-3-13(4-7-15)17(11-21(27)30-2)23-22(28)19(26)10-16(31-23)12-32-20-8-5-14(24)9-18(20)25/h3-10,17,28H,11-12H2,1-2H3InChIKey
BXYGGKZPMNYLRN-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O
InChI=1SC23H20F2O6Sc129156313(4715)17(1121(27)302)2322(28)19(26)1016(3123)1232208514(24)918(20)25h3101728H1112H212H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(4methoxyphenyl)propanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(4methoxyphenyl)propanoate
MFCD30711237
ZINC000096335875
ZINC000096335876
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