Vitas-M small molecule compound
[(5E)-5-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428706
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1cccc(c1)F)Br
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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 C20H15BrFNO5S2 MW 512.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFNO5S2/c1-27-15-7-12(8-16-19(26)23(9-17(24)25)20(29)30-16)6-14(21)18(15)28-10-11-3-2-4-13(22)5-11/h2-8H,9-10H2,1H3,(H,24,25)/b16-8+InChIKey
UJTREIOSXLTACC-LZYBPNLTSA-NSynonyms
((5E)5(3bromo4((3fluorobenzyl)oxy)5methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3bromo4((3fluorophenyl)methoxy)5methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br)OCC3=CC(=CC=C3)F
COc1cc(C=C2SC(=S)N(C2=O)CC(=O)O)cc(c1OCc1cccc(c1)F)Br
InChI=1SC20H15BrFNO5S2c12715712(81619(26)23(917(24)25)20(29)3016)614(21)18(15)28101132413(22)511h28H910H21H3(H2425)b168+
MFCD04085729
ZINC000009310591
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