Vitas-M small molecule compound
4-{(4Z)-4-[3-bromo-4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK400516
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)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 C30H26BrN3O8 MW 636.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3O8/c1-4-41-30(39)20-5-9-21(10-6-20)32-26(35)16-42-27-24(31)14-18(15-25(27)40-3)13-23-17(2)33-34(28(23)36)22-11-7-19(8-12-22)29(37)38/h5-15H,4,16H2,1-3H3,(H,32,35)(H,37,38)/b23-13-InChIKey
IAVFJVGSVUSWKA-QRVIBDJDSA-NSynonyms
445286-59-94((4Z)4((3bromo4(2(4ethoxycarbonylanilino)2oxoethoxy)5methoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
4((4Z)4(3bromo4(2((4(ethoxycarbonyl)phenyl)amino)2oxoethoxy)5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
445286599
CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)OC
CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OC)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC30H26BrN3O8c144130(39)205921(10620)3226(35)16422724(31)1418(1525(27)403)132317(2)3334(28(23)36)2211719(81222)29(37)38h515H416H213H3(H3235)(H3738)b2313
MFCD02371992
ZINC000150401561
ZINC150401561
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.