Vitas-M small molecule compound

2-methyl-3-{5-[(E)-(1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid

Catalog ID
STK055323
SMILES O=C(CN1C(=O)N/C(=C/c2ccc(o2)c2cccc(c2C)C(=O)O)/C1=O)Nc1ccc(cc1)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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-14-6-8-16(9-7-14)26-22(29)13-28-23(30)20(27-25(28)33)12-17-10-11-21(34-17)18-4-3-5-19(15(18)2)24(31)32/h3-12H,13H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)/b20-12+
InChIKey
WIVINXOMOZTAJD-UDWIEESQSA-N
Synonyms

2METHYL3(5((E)(1(2((4METHYLPHENYL)AMINO)2OXOETHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
2METHYL3(5((E)(1(2(4METHYLANILINO)2OXOETHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=C(O3)C4=C(C(=CC=C4)C(=O)O)C)NC2=O
InChI=1SC25H21N3O6c1146816(9714)2622(29)132823(30)20(2725(28)33)1217101121(3417)1843519(15(18)2)24(31)32h312H13H212H3(H2629)(H2733)(H3132)b2012+
MFCD03270100
O=C(CN1C(=O)NC(=Cc2ccc(o2)c2cccc(c2C)C(=O)O)C1=O)Nc1ccc(cc1)C
STK055323
ZINC000026675857
ZINC26675857

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Available files

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