Vitas-M small molecule compound

N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide

Catalog ID
STK829161
SMILES COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[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 C22H19N5O5 MW 433.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5/c1-32-12-4-11-24-22(29)18(13-23)19-16-5-2-3-6-17(16)20(25-19)26-21(28)14-7-9-15(10-8-14)27(30)31/h2-3,5-10H,4,11-12H2,1H3,(H,24,29)(H,25,26,28)/b19-18-
InChIKey
QXVIWNMONVHGEW-HNENSFHCSA-N
Synonyms
892612-55-4
(Z)N(1(1cyano2((3methoxypropyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
892612554
COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
COCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC22H19N5O5c132124112422(29)18(1323)1916523617(16)20(2519)2621(28)147915(10814)27(30)31h23510H41112H21H3(H2429)(H252628)b1918
MFCD06604453
N((1Z)1(1cyano2((3methoxypropyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
N((3Z)3(1CYANO2(3METHOXYPROPYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)4NITROBENZAMIDE
ZINC000002432209
ZINC02432209
ZINC2432209

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Available files

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