Vitas-M small molecule compound
4-{5-[1-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoic acid
Catalog ID
STL317082
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(o1)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 C19H18N2O6 MW 370.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O6/c1-10-17(18(23)21-20-10)13(9-16(22)26-2)15-8-7-14(27-15)11-3-5-12(6-4-11)19(24)25/h3-8,13H,9H2,1-2H3,(H,24,25)(H2,20,21,23)InChIKey
BYRAKDWEWIHNMF-UHFFFAOYSA-NSynonyms
1435984-77-21435984772
4(5(1(3hydroxy5methyl1Hpyrazol4yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4(5(3methoxy1(3methyl5oxo12dihydropyrazol4yl)3oxopropyl)furan2yl)benzoicacid
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(o1)c1ccc(cc1)C(=O)O
InChI=1SC19H18N2O6c11017(18(23)212010)13(916(22)262)158714(2715)113512(6411)19(24)25h3813H9H212H3(H2425)(H2202123)
MFCD28028172
ZINC000095478239
ZINC000095478240
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