Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-3-(2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL369980
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2C)cc(c1OCc1ccc(cc1Cl)Cl)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 C26H20BrCl2NO3S2 MW 609.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrCl2NO3S2/c1-3-32-22-11-16(10-19(27)24(22)33-14-17-8-9-18(28)13-20(17)29)12-23-25(31)30(26(34)35-23)21-7-5-4-6-15(21)2/h4-13H,3,14H2,1-2H3/b23-12+InChIKey
ZFURLNCYZQNFDS-FSJBWODESA-NSynonyms
(5E)5((3bromo4((24dichlorophenyl)methoxy)5ethoxyphenyl)methylidene)3(2methylphenyl)2sulfanylidene13thiazolidin4one
(5E)5(3bromo4((24dichlorobenzyl)oxy)5ethoxybenzylidene)3(2methylphenyl)2thioxo13thiazolidin4one
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3C)Br)OCC4=C(C=C(C=C4)Cl)Cl
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccccc2C)cc(c1OCc1ccc(cc1Cl)Cl)Br
InChI=1SC26H20BrCl2NO3S2c1332221116(1019(27)24(22)3314178918(28)1320(17)29)122325(31)30(26(34)3523)21754615(21)2h413H314H212H3b2312+
MFCD03905734
ZINC000100339818
ZINC100339818
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