Vitas-M small molecule compound

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

Catalog ID
STK600032
SMILES CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/C#N

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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 C22H19FN4O2 MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O2/c1-2-3-12-25-22(29)18(13-24)19-16-6-4-5-7-17(16)20(26-19)27-21(28)14-8-10-15(23)11-9-14/h4-11H,2-3,12H2,1H3,(H,25,29)(H,26,27,28)/b19-18-
InChIKey
LREBYHBWSJHRGZ-HNENSFHCSA-N
Synonyms
900869-39-8
(Z)N(1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
900869398
CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)F)C#N
CCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)C#N
InChI=1SC22H19FN4O2c123122522(29)18(1324)1916645717(16)20(2619)2721(28)1481015(23)11914h411H2312H21H3(H2529)(H262728)b1918
MFCD06775144
N((1Z)1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
N((3Z)3(2(BUTYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)4FLUOROBENZAMIDE
ZINC000005246600
ZINC05246600
ZINC5246600

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Available files

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