Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(5-phenyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL317858
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1cn[nH]c1c1ccccc1
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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 C17H18N4O3 MW 326.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3/c1-10-15(17(23)21-19-10)12(8-14(22)24-2)13-9-18-20-16(13)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,18,20)(H2,19,21,23)InChIKey
LVUXVAFQVMXQMT-UHFFFAOYSA-NSynonyms
1435985-47-91435985479
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C(NN=C2)C3=CC=CC=C3
COC(=O)CC(c1c(C)(nH)nc1O)c1cn(nH)c1c1ccccc1
InChI=1SC17H18N4O3c11015(17(23)211910)12(814(22)242)139182016(13)116435711h37912H8H212H3(H1820)(H2192123)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(5phenyl1Hpyrazol4yl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(5phenyl1Hpyrazol4yl)propanoate
MFCD28030955
ZINC000095478870
ZINC000095478871
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