Vitas-M small molecule compound
2-(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
STL387127
SMILES N#Cc1ccccc1N1C(=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/c26-13-14-7-1-6-12-19(14)27-24(28)22-20-15-8-2-3-9-16(15)21(23(22)25(27)29)18-11-5-4-10-17(18)20/h1-12,20-23HInChIKey
ALGCRGVDDRTVNG-UHFFFAOYSA-NSynonyms
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
C1=CC=C(C(=C1)C#N)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC25H16N2O2c2613147161219(14)2724(28)222015823916(15)21(23(22)25(27)29)1811541017(18)20h1122023H
MFCD02084455
ZINC000002478534
ZINC000018285506
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