Vitas-M small molecule compound
1,8-dibromo-17-(3-bromo-4-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK264403
SMILES O=C1N(c2ccc(c(c2)Br)C)C(=O)C2C1C1(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 C25H16Br3NO2 MW 602.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Br3NO2/c1-13-10-11-14(12-19(13)26)29-22(30)20-21(23(29)31)25(28)16-7-3-2-6-15(16)24(20,27)17-8-4-5-9-18(17)25/h2-12,20-21H,1H3InChIKey
SGDWHERUSDOURH-UHFFFAOYSA-NSynonyms
18dibromo17(3bromo4methylphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br)Br
InChI=1SC25H16Br3NO2c113101114(1219(13)26)2922(30)2021(23(29)31)25(28)16732615(16)24(2027)17845918(17)25h2122021H1H3
MFCD01460637
ZINC000008424850
ZINC000008424856
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