Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{(5E)-5-[5-bromo-3-methoxy-2-(prop-2-yn-1-yloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamide
Catalog ID
STL412344
SMILES C#CCOc1c(cc(cc1OC)Br)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc2c(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 C23H17BrN2O7S MW 545.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O7S/c1-3-6-31-21-13(7-14(24)9-18(21)30-2)8-19-22(28)26(23(29)34-19)11-20(27)25-15-4-5-16-17(10-15)33-12-32-16/h1,4-5,7-10H,6,11-12H2,2H3,(H,25,27)/b19-8+InChIKey
LOXFDYVKSQRMCQ-UFWORHAWSA-NSynonyms
C#CCOc1c(cc(cc1OC)Br)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
COC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC4=C(C=C3)OCO4)OCC#C
InChI=1SC23H17BrN2O7Sc136312113(714(24)918(21)302)81922(28)26(23(29)3419)1120(27)2515451617(1015)33123216h145710H61112H22H3(H2527)b198+
MFCD03923697
N(13benzodioxol5yl)2((5E)5((5bromo3methoxy2prop2ynoxyphenyl)methylidene)24dioxo13thiazolidin3yl)acetamide
N(13benzodioxol5yl)2((5E)5(5bromo3methoxy2(prop2yn1yloxy)benzylidene)24dioxo13thiazolidin3yl)acetamide
ZINC000104922790
ZINC104922790
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