Vitas-M small molecule compound
(5E)-3-benzyl-5-[2-hydroxy-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428667
SMILES O=C1/C(=C\c2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)/SC(=S)N1Cc1ccccc1
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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 C27H27NO2S2 MW 461.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO2S2/c29-23-7-6-22(27-13-18-8-19(14-27)10-20(9-18)15-27)11-21(23)12-24-25(30)28(26(31)32-24)16-17-4-2-1-3-5-17/h1-7,11-12,18-20,29H,8-10,13-16H2/b24-12+InChIKey
KXNKQQOVVYMCKH-WYMPLXKRSA-NSynonyms
(5E)3benzyl5(2hydroxy5(tricyclo(3311~37~)dec1yl)benzylidene)2thioxo13thiazolidin4one
(5E)5((5(1adamantyl)2hydroxyphenyl)methylidene)3benzyl2sulfanylidene13thiazolidin4one
C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C=C5C(=O)N(C(=S)S5)CC6=CC=CC=C6
InChI=1SC27H27NO2S2c29237622(271318819(1427)1020(918)1527)1121(23)122425(30)28(26(31)3224)16174213517h171112182029H8101316H2b2412+
O=C1C(=Cc2cc(ccc2O)C23CC4CC(C3)CC(C2)C4)SC(=S)N1Cc1ccccc1
ZINC000009310526
ZINC09310526
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