Vitas-M small molecule compound

methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(quinoxalin-5-yl)propanoate

Catalog ID
STL317190
SMILES COC(=O)CC(c1cccc2c1nccn2)c1c(C)[nH]nc1O

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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 C16H16N4O3 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3/c1-9-14(16(22)20-19-9)11(8-13(21)23-2)10-4-3-5-12-15(10)18-7-6-17-12/h3-7,11H,8H2,1-2H3,(H2,19,20,22)
InChIKey
XLVGVFUGGNUCPV-UHFFFAOYSA-N
Synonyms
1435978-36-1
1435978361
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C3C(=CC=C2)N=CC=N3
COC(=O)CC(c1cccc2c1nccn2)c1c(C)(nH)nc1O
InChI=1SC16H16N4O3c1914(16(22)20199)11(813(21)232)104351215(10)18761712h3711H8H212H3(H2192022)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(quinoxalin5yl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3quinoxalin5ylpropanoate
MFCD28028229
ZINC000095478338
ZINC000095478339

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Available files

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