Vitas-M small molecule compound
(5Z)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-[4-(dimethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL357903
SMILES CCOc1cc(/C=C/2\SC(=S)N(C2=O)c2ccc(cc2)N(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 C30H29BrN2O3S2 MW 609.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29BrN2O3S2/c1-5-7-22-16-21(17-26(35-6-2)28(22)36-19-20-8-10-23(31)11-9-20)18-27-29(34)33(30(37)38-27)25-14-12-24(13-15-25)32(3)4/h5,8-18H,1,6-7,19H2,2-4H3/b27-18-InChIKey
GQMJIKODALVQEH-IMRQLAEWSA-NSynonyms
(5Z)5((4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)3(4(dimethylamino)phenyl)2sulfanylidene13thiazolidin4one
(5Z)5(4((4bromobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)3(4(dimethylamino)phenyl)2thioxo13thiazolidin4one
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)N(C)C
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccc(cc2)N(C)C)cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC30H29BrN2O3S2c157221621(1726(3562)28(22)36192081023(31)11920)182729(34)33(30(37)3827)25141224(131525)32(3)4h5818H16719H224H3b2718
MFCD28032668
ZINC000101341761
ZINC101341761
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