Vitas-M small molecule compound

(4-methyl-1H-pyrazol-1-yl)(3,4,5-triethoxyphenyl)methanone

Catalog ID
STK462965
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)n1ncc(c1)C

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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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-5-21-14-8-13(17(20)19-11-12(4)10-18-19)9-15(22-6-2)16(14)23-7-3/h8-11H,5-7H2,1-4H3
InChIKey
XOYTZZKQXPOGRB-UHFFFAOYSA-N
Synonyms

(4methyl1Hpyrazol1yl)(345triethoxyphenyl)methanone
(4METHYLPYRAZOL1YL)(345TRIETHOXYPHENYL)METHANONE
4METHYLPYRAZOLYL345TRIETHOXYPHENYLKETONE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C=C(C=N2)C
InChI=1SC17H22N2O4c152114813(17(20)191112(4)101819)915(2262)16(14)2373h811H57H214H3
MFCD06004973
ZINC000001055583
ZINC01055583
ZINC1055583

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Available files

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