Vitas-M small molecule compound
4-({4-[(1E)-2-cyano-3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzonitrile
Catalog ID
STK380684
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C#N)/C(=O)N1CCc2c(C1)cccc2
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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 C27H21N3O2 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O2/c28-16-21-5-7-22(8-6-21)19-32-26-11-9-20(10-12-26)15-25(17-29)27(31)30-14-13-23-3-1-2-4-24(23)18-30/h1-12,15H,13-14,18-19H2/b25-15+InChIKey
OTBJIWQAFVRSLQ-MFKUBSTISA-NSynonyms
4((4((1E)2cyano3(34dihydroisoquinolin2(1H)yl)3oxoprop1en1yl)phenoxy)methyl)benzonitrile
4((4((E)2cyano3(34dihydro1Hisoquinolin2yl)3oxoprop1enyl)phenoxy)methyl)benzonitrile
C1CN(CC2=CC=CC=C21)C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C#N)C#N
InChI=1SC27H21N3O2c2816215722(8621)19322611920(101226)1525(1729)27(31)30141323312424(23)1830h11215H13141819H2b2515+
MFCD02314445
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C#N)C(=O)N1CCc2c(C1)cccc2
ZINC000000876873
ZINC00876873
ZINC876873
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