Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-3-(2-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL378942
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2OC)cc(c1OCc1ccc(cc1)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 C25H19BrFNO4S2 MW 560.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrFNO4S2/c1-30-20-6-4-3-5-19(20)28-24(29)22(34-25(28)33)13-16-11-18(26)23(21(12-16)31-2)32-14-15-7-9-17(27)10-8-15/h3-13H,14H2,1-2H3/b22-13+InChIKey
GDCQYAHHNMYAKW-LPYMAVHISA-NSynonyms
(5E)5((3BROMO4((4FLUOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)3(2METHOXYPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3bromo4((4fluorobenzyl)oxy)5methoxybenzylidene)3(2methoxyphenyl)2thioxo13thiazolidin4one
COC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)F)OC)SC2=S
COc1cc(C=C2SC(=S)N(C2=O)c2ccccc2OC)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC25H19BrFNO4S2c13020643519(20)2824(29)22(3425(28)33)13161118(26)23(21(1216)312)3214157917(27)10815h313H14H212H3b2213+
MFCD03614556
ZINC000100340164
ZINC100340164
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