Vitas-M small molecule compound
(5E)-3-benzyl-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428699
SMILES C#CCOc1c(Br)cc(cc1OCC)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C22H18BrNO3S2 MW 488.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO3S2/c1-3-10-27-20-17(23)11-16(12-18(20)26-4-2)13-19-21(25)24(22(28)29-19)14-15-8-6-5-7-9-15/h1,5-9,11-13H,4,10,14H2,2H3/b19-13+InChIKey
NDWQHAIWPUGGJU-CPNJWEJPSA-NSynonyms
(5E)3benzyl5((3bromo5ethoxy4prop2ynoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3benzyl5(3bromo5ethoxy4(prop2yn1yloxy)benzylidene)2thioxo13thiazolidin4one
C#CCOc1c(Br)cc(cc1OCC)C=C1SC(=S)N(C1=O)Cc1ccccc1
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)Br)OCC#C
InChI=1SC22H18BrNO3S2c1310272017(23)1116(1218(20)2642)131921(25)24(22(28)2919)14158657915h1591113H41014H22H3b1913+
MFCD04084819
ZINC000009310585
ZINC09310585
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