Vitas-M small molecule compound

methyl 3-(3-bromo-4,5-dimethoxyphenyl)-3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate

Catalog ID
STL434599
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1cc(Br)c(c(c1)OC)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 C24H21BrF2O7S MW 571.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrF2O7S/c1-31-19-7-12(6-16(25)24(19)33-3)15(10-21(29)32-2)23-22(30)18(28)9-14(34-23)11-35-20-5-4-13(26)8-17(20)27/h4-9,15,30H,10-11H2,1-3H3
InChIKey
XPMDRMSWKRJHMD-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O)Br)OC
InChI=1SC24H21BrF2O7Sc13119712(616(25)24(19)333)15(1021(29)322)2322(30)18(28)914(3423)1135205413(26)817(20)27h491530H1011H213H3
methyl3(3bromo45dimethoxyphenyl)3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(3bromo45dimethoxyphenyl)3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)propanoate
MFCD30711247
ZINC000100255988
ZINC000100255992

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Available files

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