Vitas-M small molecule compound

N-[(1Z)-1-{1-cyano-2-[(3,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-methoxybenzamide

Catalog ID
STK578006
SMILES N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)OC)/C(=O)Nc1cc(C)cc(c1)C

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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 C27H22N4O3 MW 450.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3/c1-16-12-17(2)14-19(13-16)29-27(33)23(15-28)24-21-6-4-5-7-22(21)25(30-24)31-26(32)18-8-10-20(34-3)11-9-18/h4-14H,1-3H3,(H,29,33)(H,30,31,32)/b24-23-
InChIKey
OIGSXYAGNKKFHX-VHXPQNKSSA-N
Synonyms
902043-56-5
(Z)N(1(1cyano2((35dimethylphenyl)amino)2oxoethylidene)1Hisoindol3yl)4methoxybenzamide
902043565
CC1=CC(=CC(=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)OC)C#N)C
InChI=1SC27H22N4O3c1161217(2)1419(1316)2927(33)23(1528)2421645722(21)25(3024)3126(32)1881020(343)11918h414H13H3(H2933)(H303132)b2423
MFCD06783422
N#CC(=C1N=C(c2c1cccc2)NC(=O)c1ccc(cc1)OC)C(=O)Nc1cc(C)cc(c1)C
N((1Z)1(1cyano2((35dimethylphenyl)amino)2oxoethylidene)1Hisoindol3yl)4methoxybenzamide
N((3Z)3(1CYANO2(35DIMETHYLANILINO)2OXOETHYLIDENE)ISOINDOL1YL)4METHOXYBENZAMIDE
ZINC000009187497
ZINC09187497
ZINC9187497

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Available files

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