Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL380039
SMILES C#CCOc1ccc(cc1OC)/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 C21H15NO5S2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO5S2/c1-3-8-25-15-6-4-13(9-17(15)24-2)10-19-20(23)22(21(28)29-19)14-5-7-16-18(11-14)27-12-26-16/h1,4-7,9-11H,8,12H2,2H3/b19-10+InChIKey
PBRXJIPEIGDLFR-VXLYETTFSA-NSynonyms
(5E)3(13BENZODIOXOL5YL)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5yl)5(3methoxy4(prop2yn1yloxy)benzylidene)2thioxo13thiazolidin4one
C#CCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)OCC#C
InChI=1SC21H15NO5S2c13825156413(917(15)242)101920(23)22(21(28)2919)14571618(1114)27122616h147911H812H22H3b1910+
MFCD04085809
ZINC000003769622
ZINC03769622
ZINC3769622
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