Vitas-M small molecule compound
(5Z)-3-(4-ethoxyphenyl)-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxoimidazolidin-4-one
Catalog ID
STL369097
SMILES CCOc1ccc(cc1)N1C(=S)N/C(=C\c2ccc(c(c2)OC)OCC#C)/C1=O
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-4-12-28-19-11-6-15(14-20(19)26-3)13-18-21(25)24(22(29)23-18)16-7-9-17(10-8-16)27-5-2/h1,6-11,13-14H,5,12H2,2-3H3,(H,23,29)/b18-13-InChIKey
DLIFQSXDTKSCMP-AQTBWJFISA-NSynonyms
(5Z)3(4ETHOXYPHENYL)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)3(4ethoxyphenyl)5(3methoxy4(prop2yn1yloxy)benzylidene)2thioxoimidazolidin4one
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=Cc2ccc(c(c2)OC)OCC#C)C1=O
InChI=1SC22H20N2O4Sc1412281911615(1420(19)263)131821(25)24(22(29)2318)167917(10816)2752h16111314H512H223H3(H2329)b1813
MFCD03137875
ZINC000004725625
ZINC04725625
ZINC4725625
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