Vitas-M small molecule compound
(5Z,5'E)-3,3'-hexane-1,6-diylbis[2-(4-tert-butylphenyl)-5-(3,4-dimethoxybenzylidene)-3,5-dihydro-4H-imidazol-4-one]
Catalog ID
STL441505
SMILES COc1cc(ccc1OC)/C=C/1\N=C(N(C1=O)CCCCCCN1C(=N/C(=C/c2ccc(c(c2)OC)OC)/C1=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
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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 C50H58N4O6 MW 811.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H58N4O6/c1-49(2,3)37-21-17-35(18-22-37)45-51-39(29-33-15-25-41(57-7)43(31-33)59-9)47(55)53(45)27-13-11-12-14-28-54-46(36-19-23-38(24-20-36)50(4,5)6)52-40(48(54)56)30-34-16-26-42(58-8)44(32-34)60-10/h15-26,29-32H,11-14,27-28H2,1-10H3/b39-29-,40InChIKey
WEDIRZDACVRYMG-IHQGOOSRSA-NSynonyms
(5Z)2(4tertbutylphenyl)3(6((4E)2(4tertbutylphenyl)4((34dimethoxyphenyl)methylidene)5oxoimidazol1yl)hexyl)5((34dimethoxyphenyl)methylidene)imidazol4one
(5Z5E)33hexane16diylbis(2(4tertbutylphenyl)5(34dimethoxybenzylidene)35dihydro4Himidazol4one)
CC(C)(C)C1=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)C(C)(C)C
COc1cc(ccc1OC)C=C1N=C(N(C1=O)CCCCCCN1C(=NC(=Cc2ccc(c(c2)OC)OC)C1=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI=1SC50H58N4O6c149(23)37211735(182237)455139(2933152541(577)43(3133)599)47(55)53(45)2713111214285446(36192338(242036)50(45)6)5240(48(54)56)3034162642(588)44(3234)6010h15262932H11142728H2110H3b39294030+
MFCD07773924
ZINC000150350289
ZINC150350289
Check stock
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