Vitas-M small molecule compound
4-(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
STL387327
SMILES N#Cc1ccc(cc1)N1C(=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/c1-26-18-7-3-5-9-20(18)27(2,21-10-6-4-8-19(21)26)23-22(26)24(30)29(25(23)31)17-13-11-16(15-28)12-14-17/h3-14,22-23H,1-2H3InChIKey
NINLALHNOVUKLL-UHFFFAOYSA-NSynonyms
4(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC27H20N2O2c12618735920(18)27(2211064819(21)26)2322(26)24(30)29(25(23)31)17131116(1528)121417h3142223H12H3
MFCD06166862
ZINC000017082853
ZINC000017082855
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