Vitas-M small molecule compound
4-[1-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-methoxy-3-oxopropyl]benzoic acid
Catalog ID
STL311456
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(cc1)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 C15H16N2O5 MW 304.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O5/c1-8-13(14(19)17-16-8)11(7-12(18)22-2)9-3-5-10(6-4-9)15(20)21/h3-6,11H,7H2,1-2H3,(H,20,21)(H2,16,17,19)InChIKey
ODVXWZFRGZIBIO-UHFFFAOYSA-NSynonyms
1435984-08-91435984089
4(1(3hydroxy5methyl1Hpyrazol4yl)3methoxy3oxopropyl)benzoicacid
4(3methoxy1(3methyl5oxo12dihydropyrazol4yl)3oxopropyl)benzoicacid
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(C=C2)C(=O)O
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(cc1)C(=O)O
InChI=1SC15H16N2O5c1813(14(19)17168)11(712(18)222)93510(649)15(20)21h3611H7H212H3(H2021)(H2161719)
MFCD28026108
ZINC000095474069
ZINC000095474070
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