Vitas-M small molecule compound

N-{(1Z)-1-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1H-isoindol-3-yl}-4-fluorobenzamide

Catalog ID
STK592574
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/C(=O)NC1CCCCC1

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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 C24H21FN4O2 MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O2/c25-16-12-10-15(11-13-16)23(30)29-22-19-9-5-4-8-18(19)21(28-22)20(14-26)24(31)27-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7H2,(H,27,31)(H,28,29,30)/b21-20-
InChIKey
FTCHEQFGCYYQOX-MRCUWXFGSA-N
Synonyms
902024-97-9
(Z)N(1(1cyano2(cyclohexylamino)2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
902024979
C1CCC(CC1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)C#N
InChI=1SC24H21FN4O2c2516121015(111316)23(30)292219954818(19)21(2822)20(1426)24(31)27176213717h4581317H1367H2(H2731)(H282930)b2120
MFCD06782266
N((1Z)1(1cyano2(cyclohexylamino)2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
N((3Z)3(1CYANO2(CYCLOHEXYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)4FLUOROBENZAMIDE
ZINC000005323534
ZINC05323534
ZINC5323534

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.