Vitas-M small molecule compound
(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375126
SMILES CCCN1C(=S)N/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)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 C21H30N2O2S MW 374.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O2S/c1-8-9-23-18(25)16(22-19(23)26)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h10-12,24H,8-9H2,1-7H3,(H,22,26)/b16-12-InChIKey
AZXGIRKEJJYSSG-VBKFSLOCSA-NSynonyms
(5Z)5((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(35ditertbutyl4hydroxybenzylidene)3propyl2thioxoimidazolidin4one
5(35DITERTBUTYL4HYDROXYBENZYLIDENE)3PROPYL2THIOXO4IMIDAZOLIDINONE
CCCN1C(=O)C(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)NC1=S
CCCN1C(=S)NC(=Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C1=O
InChI=1SC21H30N2O2Sc1892318(25)16(2219(23)26)12131014(20(23)4)17(24)15(1113)21(56)7h101224H89H217H3(H2226)b1612
MFCD03784220
ZINC000005898225
ZINC05898225
ZINC5898225
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