Vitas-M small molecule compound

N',N''-{sulfanediylbis[furan-5,2-diyl(E)methylylidene]}bis[2-(2,4-dibromo-6-methoxyphenoxy)acetohydrazide]

Catalog ID
STK671808
SMILES COc1cc(Br)cc(c1OCC(=O)N/N=C/c1ccc(o1)Sc1ccc(o1)/C=N/NC(=O)COc1c(Br)cc(cc1OC)Br)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 C28H22Br4N4O8S MW 894.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Br4N4O8S/c1-39-21-9-15(29)7-19(31)27(21)41-13-23(37)35-33-11-17-3-5-25(43-17)45-26-6-4-18(44-26)12-34-36-24(38)14-42-28-20(32)8-16(30)10-22(28)40-2/h3-12H,13-14H2,1-2H3,(H,35,37)(H,36,38)/b33-11+,34-12+
InChIKey
IWKVGJKVIIUAQN-QNIRRPGASA-N
Synonyms

2(24dibromo6methoxyphenoxy)N((E)(5(5((E)((2(24dibromo6methoxyphenoxy)acetyl)hydrazinylidene)methyl)furan2yl)sulfanylfuran2yl)methylideneamino)acetamide
COC1=CC(=CC(=C1OCC(=O)NN=CC2=CC=C(O2)SC3=CC=C(O3)C=NNC(=O)COC4=C(C=C(C=C4OC)Br)Br)Br)Br
COc1cc(Br)cc(c1OCC(=O)NN=Cc1ccc(o1)Sc1ccc(o1)C=NNC(=O)COc1c(Br)cc(cc1OC)Br)Br
InChI=1SC28H22Br4N4O8Sc13921915(29)719(31)27(21)411323(37)353311173525(4317)45266418(4426)12343624(38)14422820(32)816(30)1022(28)402h312H1314H212H3(H3537)(H3638)b3311+3412+
MFCD00821166
NN(sulfanediylbis(furan52diyl(E)methylylidene))bis(2(24dibromo6methoxyphenoxy)acetohydrazide)
ZINC000150352442
ZINC150557223

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.