Vitas-M small molecule compound
4-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STK544413
SMILES COc1cc(ccc1OC)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O
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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 C21H21FN2O5 MW 400.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O5/c1-28-18-8-5-14(11-19(18)29-2)16-12-17(13-3-6-15(22)7-4-13)24(23-16)20(25)9-10-21(26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,26,27)InChIKey
UCCYYUVARKTOLH-UHFFFAOYSA-NSynonyms
369394-39-8369394398
4(3(34DIMETHOXYPHENYL)5(4FLUOROPHENYL)(2PYRAZOLINYL))4OXOBUTANOICACID
4(3(34dimethoxyphenyl)5(4fluorophenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(34DIMETHOXYPHENYL)3(4FLUOROPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CCC(=O)O)OC
InChI=1SC21H21FN2O5c128188514(1119(18)292)161217(133615(22)7413)24(2316)20(25)91021(26)27h381117H91012H212H3(H2627)
MFCD02735663
ZINC000000890345
ZINC000000890347
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