Vitas-M small molecule compound

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

Catalog ID
STK829160
SMILES COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/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 C22H19FN4O3 MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O3/c1-30-12-4-11-25-22(29)18(13-24)19-16-5-2-3-6-17(16)20(26-19)27-21(28)14-7-9-15(23)10-8-14/h2-3,5-10H,4,11-12H2,1H3,(H,25,29)(H,26,27,28)/b19-18-
InChIKey
HNCFQNDFKBEMSZ-HNENSFHCSA-N
Synonyms
885183-75-5
(Z)N(1(1cyano2((3methoxypropyl)amino)2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
885183755
COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)F)C#N
COCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)C#N
InChI=1SC22H19FN4O3c130124112522(29)18(1324)1916523617(16)20(2619)2721(28)147915(23)10814h23510H41112H21H3(H2529)(H262728)b1918
MFCD06607851
N((1Z)1(1cyano2((3methoxypropyl)amino)2oxoethylidene)1Hisoindol3yl)4fluorobenzamide
N((3Z)3(1CYANO2(3METHOXYPROPYLAMINO)2OXOETHYLIDENE)ISOINDOL1YL)4FLUOROBENZAMIDE
ZINC000002337921
ZINC02337921
ZINC2337921

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Available files

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