Vitas-M small molecule compound

4-[3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Catalog ID
STK534236
SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)C)c1ccc(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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-14-3-7-16(8-4-14)18-13-19(17-9-5-15(2)6-10-17)23(22-18)20(24)11-12-21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)
InChIKey
GGRIZMPYVRYGHZ-UHFFFAOYSA-N
Synonyms

4(35BIS(4METHYLPHENYL)(2PYRAZOLINYL))4OXOBUTANOICACID
4(35BIS(4METHYLPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
4(35bis(4methylphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(35diptolyl45dihydro1Hpyrazol1yl)4oxobutanoicacid
CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)C
InChI=1SC21H22N2O3c1143716(8414)181319(179515(2)61017)23(2218)20(24)111221(25)26h31019H1113H212H3(H2526)
MFCD02216175
ZINC000004103690
ZINC000004103691

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Available files

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