Vitas-M small molecule compound
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzonitrile (non-preferred name)
Catalog ID
STK264409
SMILES N#Cc1ccccc1N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3
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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 C25H14Br2N2O2 MW 534.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H14Br2N2O2/c26-24-15-8-2-3-9-16(15)25(27,18-11-5-4-10-17(18)24)21-20(24)22(30)29(23(21)31)19-12-6-1-7-14(19)13-28/h1-12,20-21HInChIKey
DIXSIRDEHZJBTL-UHFFFAOYSA-NSynonyms
2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
C1=CC=C(C(=C1)C#N)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC25H14Br2N2O2c262415823916(15)25(271811541017(18)24)2120(24)22(30)29(23(21)31)191261714(19)1328h1122021H
MFCD01821498
ZINC000100184225
ZINC000100184233
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