Vitas-M small molecule compound

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

Catalog ID
STL441532
SMILES COc1cc(ccc1OC)/C=C/1\N=C(N(C1=O)CCCCCCN1C(=O)/C(=C\c2ccc(c(c2)OC)OC)/N=C1c1ccccc1Br)c1ccccc1Br

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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/c1-51-35-19-17-27(25-37(35)53-3)23-33-41(49)47(39(45-33)29-13-7-9-15-31(29)43)21-11-5-6-12-22-48-40(30-14-8-10-16-32(30)44)46-34(42(48)50)24-28-18-20-36(52-2)38(26-28)54-4/h7-10,13-20,23-26H,5-6,11-12,21-22H2,1-4H3/b33-23-,34-24+
InChIKey
PHLOJXGHUPSOBL-HUMGCQOQSA-N
Synonyms

(5E5Z)33hexane16diylbis(2(2bromophenyl)5(34dimethoxybenzylidene)35dihydro4Himidazol4one)
(5Z)2(2BROMOPHENYL)3(6((4E)2(2BROMOPHENYL)4((34DIMETHOXYPHENYL)METHYLIDENE)5OXOIMIDAZOL1YL)HEXYL)5((34DIMETHOXYPHENYL)METHYLIDENE)IMIDAZOL4ONE
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3Br)CCCCCCN4C(=NC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=CC=C6Br)OC
COc1cc(ccc1OC)C=C1N=C(N(C1=O)CCCCCCN1C(=O)C(=Cc2ccc(c(c2)OC)OC)N=C1c1ccccc1Br)c1ccccc1Br
InChI=1SC42H40Br2N4O6c15135191727(2537(35)533)233341(49)47(39(4533)2913791531(29)43)21115612224840(30148101632(30)44)4634(42(48)50)2428182036(522)38(2628)544h71013202326H5611122122H214H3b33233424+
MFCD07773951
ZINC000150350338
ZINC150350338

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Available files

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