Vitas-M small molecule compound
N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3-nitrobenzamide
Catalog ID
STK580181
SMILES CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c1-2-3-11-24-22(29)18(13-23)19-16-9-4-5-10-17(16)20(25-19)26-21(28)14-7-6-8-15(12-14)27(30)31/h4-10,12H,2-3,11H2,1H3,(H,24,29)(H,25,26,28)/b19-18-InChIKey
HQKODJPSLSKBGV-HNENSFHCSA-NSynonyms
892615-59-7(Z)N(1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
892615597
CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C#N
CCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC22H19N5O4c123112422(29)18(1323)19169451017(16)20(2519)2621(28)1476815(1214)27(30)31h41012H2311H21H3(H2429)(H252628)b1918
MFCD06779076
N((1Z)1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
N((3Z)3(2(BUTYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)3NITROBENZAMIDE
ZINC000005304426
ZINC05304426
ZINC5304426
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