Vitas-M small molecule compound
N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-2-methylbenzamide
Catalog ID
STK571677
SMILES CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1C)/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 C23H22N4O2 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2/c1-3-4-13-25-22(28)19(14-24)20-17-11-7-8-12-18(17)21(26-20)27-23(29)16-10-6-5-9-15(16)2/h5-12H,3-4,13H2,1-2H3,(H,25,28)(H,26,27,29)/b20-19-InChIKey
XIWVBOAHLULAJC-VXPUYCOJSA-NSynonyms
900897-10-1(Z)N(1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)2methylbenzamide
900897101
CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3C)C#N
CCCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccccc1C)C#N
InChI=1SC23H22N4O2c134132522(28)19(1424)201711781218(17)21(2620)2723(29)161065915(16)2h512H3413H212H3(H2528)(H262729)b2019
MFCD06776301
N((1Z)1(2(butylamino)1cyano2oxoethylidene)1Hisoindol3yl)2methylbenzamide
N((3Z)3(2(BUTYLAMINO)1CYANO2OXOETHYLIDENE)ISOINDOL1YL)2METHYLBENZAMIDE
ZINC000005267378
ZINC05267378
ZINC5267378
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