Vitas-M small molecule compound

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

Catalog ID
STL434582
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)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 C24H22BrFO7S MW 553.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrFO7S/c1-30-20-9-13(8-18(25)24(20)32-3)17(11-21(28)31-2)23-22(29)19(27)10-15(33-23)12-34-16-6-4-14(26)5-7-16/h4-10,17,29H,11-12H2,1-3H3
InChIKey
KTDIQCNGGRIIIX-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=C(C=C3)F)O)Br)OC
InChI=1SC24H22BrFO7Sc13020913(818(25)24(20)323)17(1121(28)312)2322(29)19(27)1015(3323)1234166414(26)5716h4101729H1112H213H3
methyl3(3bromo45dimethoxyphenyl)3(6(((4fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)propanoate
methyl3(3bromo45dimethoxyphenyl)3(6((4fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)propanoate
MFCD30711230
ZINC000100255890
ZINC000100255895

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Available files

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