Vitas-M small molecule compound
N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-2-chlorobenzamide
Catalog ID
STK585195
SMILES CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/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 C22H19ClN4O2 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2/c1-2-3-12-25-21(28)17(13-24)19-14-8-4-5-9-15(14)20(26-19)27-22(29)16-10-6-7-11-18(16)23/h4-11H,2-3,12H2,1H3,(H,25,28)(H,26,27,29)/b19-17-InChIKey
JWRRDRUADGJWIE-ZPHPHTNESA-NSynonyms
900888-71-3(Z)N(1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)2chlorobenzamide
900888713
CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)C#N
CCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)C#N
InChI=1SC22H19ClN4O2c123122521(28)17(1324)1914845915(14)20(2619)2722(29)1610671118(16)23h411H2312H21H3(H2528)(H262729)b1917
MFCD06779304
N((1Z)1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)2chlorobenzamide
N((3Z)3(2(BUTYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)2CHLOROBENZAMIDE
ZINC000005305501
ZINC05305501
ZINC5305501
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