Vitas-M small molecule compound
2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid
Catalog ID
STK359207
SMILES O=C(c1ccccc1)CC(n1nc(c(c1C)Cc1ccccc1)C)C(=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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-15-19(13-17-9-5-3-6-10-17)16(2)24(23-15)20(22(26)27)14-21(25)18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,26,27)InChIKey
VRNUJNCMUKRTPJ-UHFFFAOYSA-NSynonyms
1011349-22-61011349226
2(4benzyl35dimethyl1Hpyrazol1yl)4oxo4phenylbutanoicacid
2(4benzyl35dimethylpyrazol1yl)4oxo4phenylbutanoicacid
CC1=C(C(=NN1C(CC(=O)C2=CC=CC=C2)C(=O)O)C)CC3=CC=CC=C3
InChI=1SC22H22N2O3c11519(131795361017)16(2)24(2315)20(22(26)27)1421(25)18117481218h31220H1314H212H3(H2627)
MFCD09062716
ZINC000020095947
ZINC000020095949
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