Vitas-M small molecule compound
4-{(4E)-4-[3-methoxy-4-(phenylcarbonyl)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL381984
SMILES COc1cc(ccc1C(=O)c1ccccc1)/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 C26H20N2O5 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5/c1-16-22(25(30)28(27-16)20-11-9-19(10-12-20)26(31)32)14-17-8-13-21(23(15-17)33-2)24(29)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,31,32)/b22-14+InChIKey
MVXDHYHRDQOJOX-HYARGMPZSA-NSynonyms
4((4E)4((4BENZOYL3METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4E)4(3methoxy4(phenylcarbonyl)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)C(=O)O
COc1cc(ccc1C(=O)c1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC26H20N2O5c11622(25(30)28(2716)2011919(101220)26(31)32)141781321(23(1517)332)24(29)186435718h315H12H3(H3132)b2214+
MFCD03306600
ZINC000101727197
ZINC101727197
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