Vitas-M small molecule compound
(5E,5'Z)-3,3'-ethane-1,2-diylbis[5-benzylidene-2-(4-butoxyphenyl)-3,5-dihydro-4H-imidazol-4-one]
Catalog ID
STL441496
SMILES CCCCOc1ccc(cc1)C1=N/C(=C/c2ccccc2)/C(=O)N1CCN1C(=N/C(=C\c2ccccc2)/C1=O)c1ccc(cc1)OCCCC
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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 C42H42N4O4 MW 666.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N4O4/c1-3-5-27-49-35-21-17-33(18-22-35)39-43-37(29-31-13-9-7-10-14-31)41(47)45(39)25-26-46-40(34-19-23-36(24-20-34)50-28-6-4-2)44-38(42(46)48)30-32-15-11-8-12-16-32/h7-24,29-30H,3-6,25-28H2,1-2H3/b37-29-,38-30+InChIKey
XGSPCYOAABBYKX-UBRDZIHCSA-NSynonyms
(5E5Z)33ethane12diylbis(5benzylidene2(4butoxyphenyl)35dihydro4Himidazol4one)
(5Z)5benzylidene3(2((4E)4benzylidene2(4butoxyphenyl)5oxoimidazol1yl)ethyl)2(4butoxyphenyl)imidazol4one
CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3)C(=O)N2CCN4C(=NC(=CC5=CC=CC=C5)C4=O)C6=CC=C(C=C6)OCCCC
CCCCOc1ccc(cc1)C1=NC(=Cc2ccccc2)C(=O)N1CCN1C(=NC(=Cc2ccccc2)C1=O)c1ccc(cc1)OCCCC
InChI=1SC42H42N4O4c135274935211733(182235)394337(29311397101431)41(47)45(39)25264640(34192336(242034)5028642)4438(42(46)48)303215118121632h7242930H362528H212H3b37293830+
MFCD07773915
ZINC000097957327
ZINC97957327
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