Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(2,4,5-trimethoxyphenyl)propanoate
Catalog ID
STL310233
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1cc(OC)c(cc1OC)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 C17H22N2O6 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O6/c1-9-16(17(21)19-18-9)11(7-15(20)25-5)10-6-13(23-3)14(24-4)8-12(10)22-2/h6,8,11H,7H2,1-5H3,(H2,18,19,21)InChIKey
WUQASTJBDORLQV-UHFFFAOYSA-NSynonyms
1401594-17-91401594179
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC(=C(C=C2OC)OC)OC
COC(=O)CC(c1c(O)n(nH)c1C)c1cc(OC)c(cc1OC)OC
InChI=1SC17H22N2O6c1916(17(21)19189)11(715(20)255)10613(233)14(244)812(10)222h6811H7H215H3(H2181921)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(245trimethoxyphenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(245trimethoxyphenyl)propanoate
MFCD28025404
ZINC000079481378
ZINC000079481382
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.