Vitas-M small molecule compound
3-bromo-N-[(1Z)-1-{1-cyano-2-oxo-2-[(1-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]benzamide
Catalog ID
STK991340
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)Br)/C(=O)NC(c1ccccc1)C
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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 C26H19BrN4O2 MW 499.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN4O2/c1-16(17-8-3-2-4-9-17)29-26(33)22(15-28)23-20-12-5-6-13-21(20)24(30-23)31-25(32)18-10-7-11-19(27)14-18/h2-14,16H,1H3,(H,29,33)(H,30,31,32)/b23-22-InChIKey
DUBMQUWLICNPTH-FCQUAONHSA-NSynonyms
3bromoN((1Z)1(1cyano2oxo2((1phenylethyl)amino)ethylidene)1Hisoindol3yl)benzamide
3bromoN((3Z)3(1cyano2oxo2(1phenylethylamino)ethylidene)isoindol1yl)benzamide
CC(C1=CC=CC=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Br)C#N
InChI=1SC26H19BrN4O2c116(178324917)2926(33)22(1528)232012561321(20)24(3023)3125(32)181071119(27)1418h21416H1H3(H2933)(H303132)b2322
MFCD07801916
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)Br)C(=O)NC(c1ccccc1)C
ZINC000008836364
ZINC000008836366
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