Vitas-M small molecule compound

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

Catalog ID
STL441522
SMILES COc1cc(ccc1OC)/C=C/1\N=C(N(C1=O)CCCCCCN1C(=N/C(=C/c2ccc(c(c2)OC)OC)/C1=O)c1ccc(cc1)Br)c1ccc(cc1)Br

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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 C42H40Br2N4O6 MW 856.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H40Br2N4O6/c1-51-35-19-9-27(25-37(35)53-3)23-33-41(49)47(39(45-33)29-11-15-31(43)16-12-29)21-7-5-6-8-22-48-40(30-13-17-32(44)18-14-30)46-34(42(48)50)24-28-10-20-36(52-2)38(26-28)54-4/h9-20,23-26H,5-8,21-22H2,1-4H3/b33-23-,34-24+
InChIKey
AAVPAZZNBBMAHR-HUMGCQOQSA-N
Synonyms

(5Z)2(4BROMOPHENYL)3(6((4E)2(4BROMOPHENYL)4((34DIMETHOXYPHENYL)METHYLIDENE)5OXOIMIDAZOL1YL)HEXYL)5((34DIMETHOXYPHENYL)METHYLIDENE)IMIDAZOL4ONE
(5Z5E)33hexane16diylbis(2(4bromophenyl)5(34dimethoxybenzylidene)35dihydro4Himidazol4one)
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=C(C=C3)Br)CCCCCCN4C(=NC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=C(C=C6)Br)OC
COc1cc(ccc1OC)C=C1N=C(N(C1=O)CCCCCCN1C(=NC(=Cc2ccc(c(c2)OC)OC)C1=O)c1ccc(cc1)Br)c1ccc(cc1)Br
InChI=1SC42H40Br2N4O6c1513519927(2537(35)533)233341(49)47(39(4533)29111531(43)161229)217568224840(30131732(44)181430)4634(42(48)50)2428102036(522)38(2628)544h9202326H582122H214H3b33233424+
MFCD07773941
ZINC000150350320
ZINC150350320

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Available files

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