Vitas-M small molecule compound
(5E)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-(3,4-dimethylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL416529
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)C)C)cc(c1OCc1ccc(cc1)Br)CC=C
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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 C30H28BrNO3S2 MW 594.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrNO3S2/c1-5-7-23-15-22(16-26(34-6-2)28(23)35-18-21-9-11-24(31)12-10-21)17-27-29(33)32(30(36)37-27)25-13-8-19(3)20(4)14-25/h5,8-17H,1,6-7,18H2,2-4H3/b27-17+InChIKey
MGRPAUIKJJNRJM-WPWMEQJKSA-NSynonyms
(5E)5((4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)3(34dimethylphenyl)2sulfanylidene13thiazolidin4one
(5E)5(4((4bromobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)3(34dimethylphenyl)2thioxo13thiazolidin4one
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)N(C(=S)S3)C4=CC(=C(C=C4)C)C
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)C)C)cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC30H28BrNO3S2c157231522(1626(3462)28(23)35182191124(31)121021)172729(33)32(30(36)3727)2513819(3)20(4)1425h5817H16718H224H3b2717+
MFCD03905713
ZINC000100341185
ZINC100341185
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