Vitas-M small molecule compound
17-(4-bromo-2-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
STK286208
SMILES Brc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)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 C25H18BrNO2 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrNO2/c1-13-12-14(26)10-11-19(13)27-24(28)22-20-15-6-2-3-7-16(15)21(23(22)25(27)29)18-9-5-4-8-17(18)20/h2-12,20-23H,1H3InChIKey
CGPWKFRCBCMKST-UHFFFAOYSA-NSynonyms
17(4bromo2methylphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=C(C=CC(=C1)Br)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC25H18BrNO2c1131214(26)101119(13)2724(28)222015623716(15)21(23(22)25(27)29)18954817(18)20h2122023H1H3
MFCD03349862
ZINC000001139121
ZINC000017988001
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