Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-3-(3,4-dimethylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL419110
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)C)C)cc(c1OCc1ccccc1Cl)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 C26H21BrClNO3S2 MW 574.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrClNO3S2/c1-15-8-9-19(10-16(15)2)29-25(30)23(34-26(29)33)13-17-11-20(27)24(22(12-17)31-3)32-14-18-6-4-5-7-21(18)28/h4-13H,14H2,1-3H3/b23-13+InChIKey
ASXSOJJQRFOSHD-YDZHTSKRSA-NSynonyms
(5E)5((3BROMO4((2CHLOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)3(34DIMETHYLPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3bromo4((2chlorobenzyl)oxy)5methoxybenzylidene)3(34dimethylphenyl)2thioxo13thiazolidin4one
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)OC)SC2=S)C
COc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)C)C)cc(c1OCc1ccccc1Cl)Br
InChI=1SC26H21BrClNO3S2c1158919(1016(15)2)2925(30)23(3426(29)33)13171120(27)24(22(1217)313)321418645721(18)28h413H14H213H3b2313+
MFCD03614169
ZINC000100325594
ZINC100325594
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