Vitas-M small molecule compound

ethyl 3-(3,4-dimethoxyphenyl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate

Catalog ID
STL310776
SMILES CCOC(=O)CC(c1c(C)[nH]nc1O)c1ccc(c(c1)OC)OC

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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 C17H22N2O5 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O5/c1-5-24-15(20)9-12(16-10(2)18-19-17(16)21)11-6-7-13(22-3)14(8-11)23-4/h6-8,12H,5,9H2,1-4H3,(H2,18,19,21)
InChIKey
SWFWBLBMOBGPPC-UHFFFAOYSA-N
Synonyms
1401558-18-6
1401558186
CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)C2=C(NNC2=O)C
CCOC(=O)CC(c1c(C)(nH)nc1O)c1ccc(c(c1)OC)OC
ethyl3(34dimethoxyphenyl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
ethyl3(34dimethoxyphenyl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
InChI=1SC17H22N2O5c152415(20)912(1610(2)181917(16)21)116713(223)14(811)234h6812H59H214H3(H2181921)
MFCD28025721
ZINC000079490402
ZINC000079490404

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.