Vitas-M small molecule compound
4-(1-methyl-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
STL387032
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C)c3c(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 C26H18N2O2 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N2O2/c1-26-19-8-4-2-6-17(19)21(18-7-3-5-9-20(18)26)22-23(26)25(30)28(24(22)29)16-12-10-15(14-27)11-13-16/h2-13,21-23H,1H3InChIKey
JRVRNBYUKIAXTL-UHFFFAOYSA-NSynonyms
4(1methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)C#N
InChI=1SC26H18N2O2c12619842617(19)21(18735920(18)26)2223(26)25(30)28(24(22)29)16121015(1427)111316h2132123H1H3
MFCD01841695
ZINC000005186409
ZINC000005186421
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