Vitas-M small molecule compound

methyl 3-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate

Catalog ID
STL316239
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(c(c1)OC)OC(F)F

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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 C16H18F2N2O5 MW 356.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F2N2O5/c1-8-14(15(22)20-19-8)10(7-13(21)24-3)9-4-5-11(25-16(17)18)12(6-9)23-2/h4-6,10,16H,7H2,1-3H3,(H2,19,20,22)
InChIKey
NUROFDOVVSFDAC-UHFFFAOYSA-N
Synonyms
1436001-98-7
1436001987
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC(=C(C=C2)OC(F)F)OC
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(c(c1)OC)OC(F)F
InChI=1SC16H18F2N2O5c1814(15(22)20198)10(713(21)243)94511(2516(17)18)12(69)232h461016H7H213H3(H2192022)
methyl3(4(difluoromethoxy)3methoxyphenyl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(4(difluoromethoxy)3methoxyphenyl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28027705
ZINC000095477632
ZINC000095477633

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Available files

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