Vitas-M small molecule compound

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

Catalog ID
STK829153
SMILES COCCNC(=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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-31-10-9-23-21(28)17(12-22)18-15-7-2-3-8-16(15)19(24-18)25-20(27)13-5-4-6-14(11-13)26(29)30/h2-8,11H,9-10H2,1H3,(H,23,28)(H,24,25,27)/b18-17-
InChIKey
FJHNYAJYXSYLGF-ZCXUNETKSA-N
Synonyms
885183-46-0
(Z)N(1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
885183460
COCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C#N
COCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC21H17N5O5c1311092321(28)17(1222)1815723816(15)19(2418)2520(27)1354614(1113)26(29)30h2811H910H21H3(H2328)(H242527)b1817
MFCD06776485
N((1Z)1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)3nitrobenzamide
N((3Z)3(1CYANO2(2METHOXYETHYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)3NITROBENZAMIDE
ZINC000009347964
ZINC09347964
ZINC9347964

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Available files

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