Vitas-M small molecule compound

N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-3-nitrobenzamide

Catalog ID
STK580558
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)NCC(C)C

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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/c1-13(2)12-24-22(29)18(11-23)19-16-8-3-4-9-17(16)20(25-19)26-21(28)14-6-5-7-15(10-14)27(30)31/h3-10,13H,12H2,1-2H3,(H,24,29)(H,25,26,28)/b19-18-
InChIKey
WBYNZJASAQOQMB-HNENSFHCSA-N
Synonyms
892626-04-9
(Z)N(1(1cyano2(isobutylamino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
892626049
CC(C)CNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC22H19N5O4c113(2)122422(29)18(1123)1916834917(16)20(2519)2621(28)1465715(1014)27(30)31h31013H12H212H3(H2429)(H252628)b1918
MFCD06771789
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)NCC(C)C
N((1Z)1(1cyano2((2methylpropyl)amino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
N((3Z)3(1CYANO2(2METHYLPROPYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)3NITROBENZAMIDE
ZINC000005205441
ZINC05205441
ZINC5205441

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Available files

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