Vitas-M small molecule compound

(5Z,5'E)-3,3'-hexane-1,6-diylbis[2-(4-butoxyphenyl)-5-(4-chlorobenzylidene)-3,5-dihydro-4H-imidazol-4-one]

Catalog ID
STL441500
SMILES CCCCOc1ccc(cc1)C1=N/C(=C/c2ccc(cc2)Cl)/C(=O)N1CCCCCCN1C(=N/C(=C\c2ccc(cc2)Cl)/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 C46H48Cl2N4O4 MW 791.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H48Cl2N4O4/c1-3-5-29-55-39-23-15-35(16-24-39)43-49-41(31-33-11-19-37(47)20-12-33)45(53)51(43)27-9-7-8-10-28-52-44(36-17-25-40(26-18-36)56-30-6-4-2)50-42(46(52)54)32-34-13-21-38(48)22-14-34/h11-26,31-32H,3-10,27-30H2,1-2H3/b41-31-,42-32+
InChIKey
NLSUKXYWGXQGII-XIZUVVSZSA-N
Synonyms

(5Z)2(4butoxyphenyl)3(6((4E)2(4butoxyphenyl)4((4chlorophenyl)methylidene)5oxoimidazol1yl)hexyl)5((4chlorophenyl)methylidene)imidazol4one
(5Z5E)33hexane16diylbis(2(4butoxyphenyl)5(4chlorobenzylidene)35dihydro4Himidazol4one)
CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2CCCCCCN4C(=NC(=CC5=CC=C(C=C5)Cl)C4=O)C6=CC=C(C=C6)OCCCC
CCCCOc1ccc(cc1)C1=NC(=Cc2ccc(cc2)Cl)C(=O)N1CCCCCCN1C(=NC(=Cc2ccc(cc2)Cl)C1=O)c1ccc(cc1)OCCCC
InChI=1SC46H48Cl2N4O4c135295539231535(162439)434941(3133111937(47)201233)45(53)51(43)2797810285244(36172540(261836)5630642)5042(46(52)54)3234132138(48)221434h11263132H3102730H212H3b41314232+
MFCD07773919
ZINC000150350281
ZINC150350281

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Available files

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