Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379644
SMILES C#CCOc1c(Br)cc(cc1OCC)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2
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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 C22H16BrNO5S2 MW 518.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrNO5S2/c1-3-7-27-20-15(23)8-13(9-18(20)26-4-2)10-19-21(25)24(22(30)31-19)14-5-6-16-17(11-14)29-12-28-16/h1,5-6,8-11H,4,7,12H2,2H3/b19-10+InChIKey
HNMPTMKVZXWZOZ-VXLYETTFSA-NSynonyms
(5E)3(13benzodioxol5yl)5((3bromo5ethoxy4prop2ynoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3(13benzodioxol5yl)5(3bromo5ethoxy4(prop2yn1yloxy)benzylidene)2thioxo13thiazolidin4one
C#CCOc1c(Br)cc(cc1OCC)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)Br)OCC#C
InChI=1SC22H16BrNO5S2c137272015(23)813(918(20)2642)101921(25)24(22(30)3119)14561617(1114)29122816h156811H4712H22H3b1910+
MFCD04085608
ZINC000100357946
ZINC100357946
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