Vitas-M small molecule compound
4-(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
STK008184
SMILES N#Cc1ccc(cc1)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 C25H16N2O2 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16N2O2/c26-13-14-9-11-15(12-10-14)27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23HInChIKey
DLXCLHSEPXIXHC-UHFFFAOYSA-NSynonyms
4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)C#N
InChI=1SC25H16N2O2c26131491115(121014)2724(28)222016512617(16)21(23(22)25(27)29)19843718(19)20h1122023H
MFCD00470972
N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
STK008184
ZINC000000842010
ZINC000018088421
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