Vitas-M small molecule compound

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

Catalog ID
STK598567
SMILES CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccc(c1)Cl)/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/c1-2-3-11-25-22(29)18(13-24)19-16-9-4-5-10-17(16)20(26-19)27-21(28)14-7-6-8-15(23)12-14/h4-10,12H,2-3,11H2,1H3,(H,25,29)(H,26,27,28)/b19-18-
InChIKey
WMMAXEKWFBLURE-HNENSFHCSA-N
Synonyms
900266-06-0
(Z)N(1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)3chlorobenzamide
900266060
CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Cl)C#N
CCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)Cl)C#N
InChI=1SC22H19ClN4O2c123112522(29)18(1324)19169451017(16)20(2619)2721(28)1476815(23)1214h41012H2311H21H3(H2529)(H262728)b1918
MFCD06770886
N((1Z)1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)3chlorobenzamide
N((3Z)3(2(BUTYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)3CHLOROBENZAMIDE
ZINC000005203874
ZINC05203874
ZINC5203874

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Available files

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