Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[3-(pyrimidin-2-yloxy)phenyl]propanoate
Catalog ID
STL314121
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1cccc(c1)Oc1ncccn1
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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 C18H18N4O4 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4/c1-11-16(17(24)22-21-11)14(10-15(23)25-2)12-5-3-6-13(9-12)26-18-19-7-4-8-20-18/h3-9,14H,10H2,1-2H3,(H2,21,22,24)InChIKey
YZVNVCZPLMAYNT-UHFFFAOYSA-NSynonyms
1435986-00-71435986007
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC(=CC=C2)OC3=NC=CC=N3
COC(=O)CC(c1c(O)n(nH)c1C)c1cccc(c1)Oc1ncccn1
InChI=1SC18H18N4O4c11116(17(24)222111)14(1015(23)252)1253613(912)2618197482018h3914H10H212H3(H2212224)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(3(pyrimidin2yloxy)phenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(3pyrimidin2yloxyphenyl)propanoate
MFCD28030517
ZINC000095476102
ZINC000095476103
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