Vitas-M small molecule compound
4-{(4Z)-4-[2-(benzyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK958780
SMILES COc1cccc(c1OCc1ccccc1)/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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-17-22(25(29)28(27-17)21-13-11-19(12-14-21)26(30)31)15-20-9-6-10-23(32-2)24(20)33-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,30,31)/b22-15-InChIKey
ARFRUENRCVAUGT-JCMHNJIXSA-NSynonyms
4((4Z)4((3METHOXY2PHENYLMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(2(benzyloxy)3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O
COc1cccc(c1OCc1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC26H22N2O5c11722(25(29)28(2717)21131119(121421)26(30)31)1520961023(322)24(20)3316187435818h315H16H212H3(H3031)b2215
MFCD02605660
ZINC000008444323
ZINC8444323
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