Vitas-M small molecule compound
(5Z,5'E)-3,3'-hexane-1,6-diylbis[2-(4-butoxyphenyl)-5-(3,4-dimethoxybenzylidene)-3,5-dihydro-4H-imidazol-4-one]
Catalog ID
STL441499
SMILES CCCCOc1ccc(cc1)C1=N/C(=C/c2ccc(c(c2)OC)OC)/C(=O)N1CCCCCCN1C(=N/C(=C\c2ccc(c(c2)OC)OC)/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 C50H58N4O8 MW 843.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H58N4O8/c1-7-9-29-61-39-21-17-37(18-22-39)47-51-41(31-35-15-25-43(57-3)45(33-35)59-5)49(55)53(47)27-13-11-12-14-28-54-48(38-19-23-40(24-20-38)62-30-10-8-2)52-42(50(54)56)32-36-16-26-44(58-4)46(34-36)60-6/h15-26,31-34H,7-14,27-30H2,1-6H3/b41-31InChIKey
TYRFXAGMCYYCJQ-XIZUVVSZSA-NSynonyms
(5Z)2(4BUTOXYPHENYL)3(6((4E)2(4BUTOXYPHENYL)4((34DIMETHOXYPHENYL)METHYLIDENE)5OXOIMIDAZOL1YL)HEXYL)5((34DIMETHOXYPHENYL)METHYLIDENE)IMIDAZOL4ONE
(5Z5E)33hexane16diylbis(2(4butoxyphenyl)5(34dimethoxybenzylidene)35dihydro4Himidazol4one)
CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OC)OC)C(=O)N2CCCCCCN4C(=NC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=C(C=C6)OCCCC
CCCCOc1ccc(cc1)C1=NC(=Cc2ccc(c(c2)OC)OC)C(=O)N1CCCCCCN1C(=NC(=Cc2ccc(c(c2)OC)OC)C1=O)c1ccc(cc1)OCCCC
InChI=1SC50H58N4O8c179296139211737(182239)475141(3135152543(573)45(3335)595)49(55)53(47)2713111214285448(38192340(242038)62301082)5242(50(54)56)3236162644(584)46(3436)606h15263134H7142730H216H3b41314232+
MFCD07773918
ZINC000150350278
ZINC150350278
Check stock
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Check stock on Vitas-MAvailable files
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