Vitas-M small molecule compound
(5E)-3-ethyl-5-[2-hydroxy-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428666
SMILES CCN1C(=S)S/C(=C/c2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)/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 C22H25NO2S2 MW 399.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO2S2/c1-2-23-20(25)19(27-21(23)26)9-16-8-17(3-4-18(16)24)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8-9,13-15,24H,2,5-7,10-12H2,1H3/b19-9+InChIKey
YVBZZYMMICMXEP-DJKKODMXSA-NSynonyms
(5E)3ethyl5(2hydroxy5(tricyclo(3311~37~)dec1yl)benzylidene)2thioxo13thiazolidin4one
(5E)5((5(1adamantyl)2hydroxyphenyl)methylidene)3ethyl2sulfanylidene13thiazolidin4one
CCN1C(=O)C(=CC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)C1=O
InChI=1SC22H25NO2S2c122320(25)19(2721(23)26)916817(3418(16)24)221013514(1122)715(613)1222h3489131524H2571012H21H3b199+
ZINC000015012125
ZINC15012125
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