Vitas-M small molecule compound
4-(1-acetyl-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
STK279116
SMILES N#Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)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 C27H18N2O3 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N2O3/c1-15(30)27-20-8-4-2-6-18(20)22(19-7-3-5-9-21(19)27)23-24(27)26(32)29(25(23)31)17-12-10-16(14-28)11-13-17/h2-13,22-24H,1H3InChIKey
TXIYWLPFZMIPQM-UHFFFAOYSA-NSynonyms
4(1acetyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzonitrile(nonpreferredname)
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)C#N
InChI=1SC27H18N2O3c115(30)2720842618(20)22(19735921(19)27)2324(27)26(32)29(25(23)31)17121016(1428)111317h2132224H1H3
MFCD01802316
ZINC000001092970
ZINC000001092973
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