Vitas-M small molecule compound
3-bromo-N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Catalog ID
STK991333
SMILES COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccc(c1)Br)/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 C22H19BrN4O3 MW 467.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3/c1-30-11-5-10-25-22(29)18(13-24)19-16-8-2-3-9-17(16)20(26-19)27-21(28)14-6-4-7-15(23)12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,25,29)(H,26,27,28)/b19-18-InChIKey
KGHLRIQYMQHNGD-HNENSFHCSA-NSynonyms
3bromoN((1Z)1(1cyano2((3methoxypropyl)amino)2oxoethylidene)1Hisoindol3yl)benzamide
3bromoN((3Z)3(1cyano2(3methoxypropylamino)2oxoethylidene)isoindol1yl)benzamide
COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Br)C#N
COCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)Br)C#N
InChI=1SC22H19BrN4O3c130115102522(29)18(1324)1916823917(16)20(2619)2721(28)1464715(23)1214h246912H51011H21H3(H2529)(H262728)b1918
MFCD07801908
ZINC000008836355
ZINC08836355
ZINC8836355
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