Vitas-M small molecule compound

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

Catalog ID
STK829152
SMILES COCCNC(=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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-31-11-10-23-21(28)17(12-22)18-15-4-2-3-5-16(15)19(24-18)25-20(27)13-6-8-14(9-7-13)26(29)30/h2-9H,10-11H2,1H3,(H,23,28)(H,24,25,27)/b18-17-
InChIKey
AJQWYZITHXTMBJ-ZCXUNETKSA-N
Synonyms
885183-39-1
(Z)N(1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
885183391
COCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
COCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC21H17N5O5c13111102321(28)17(1222)1815423516(15)19(2418)2520(27)136814(9713)26(29)30h29H1011H21H3(H2328)(H242527)b1817
MFCD06773681
N((1Z)1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)4nitrobenzamide
N((3Z)3(1CYANO2(2METHOXYETHYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)4NITROBENZAMIDE
ZINC000009449842
ZINC09449842
ZINC9449842

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Available files

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