Vitas-M small molecule compound

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

Catalog ID
STK829150
SMILES COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Cl)/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 C21H17ClN4O3 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3/c1-29-11-10-24-21(28)17(12-23)18-15-4-2-3-5-16(15)19(25-18)26-20(27)13-6-8-14(22)9-7-13/h2-9H,10-11H2,1H3,(H,24,28)(H,25,26,27)/b18-17-
InChIKey
NHDRQWGCLXRHOT-ZCXUNETKSA-N
Synonyms
885183-24-4
(Z)4chloroN(1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)benzamide
4chloroN((1Z)1(1cyano2((2methoxyethyl)amino)2oxoethylidene)1Hisoindol3yl)benzamide
4CHLORON((3Z)3(1CYANO2(2METHOXYETHYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)BENZAMIDE
885183244
COCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)Cl)C#N
COCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Cl)C#N
InChI=1SC21H17ClN4O3c12911102421(28)17(1223)1815423516(15)19(2518)2620(27)136814(22)9713h29H1011H21H3(H2428)(H252627)b1817
MFCD06782572
ZINC000005323985
ZINC05323985
ZINC5323985

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Available files

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