Vitas-M small molecule compound
2-(1,8-dimethyl-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
STK258025
SMILES N#Cc1ccccc1N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)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 C27H20N2O2 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O2/c1-26-17-10-4-6-12-19(17)27(2,20-13-7-5-11-18(20)26)23-22(26)24(30)29(25(23)31)21-14-8-3-9-16(21)15-28/h3-14,22-23H,1-2H3InChIKey
GSRCISJQAVNUPA-UHFFFAOYSA-NSynonyms
2(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=CC=CC=C4C#N)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC27H20N2O2c1261710461219(17)27(22013751118(20)26)2322(26)24(30)29(25(23)31)211483916(21)1528h3142223H12H3
MFCD02084453
ZINC000005186456
ZINC000017082856
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