Vitas-M small molecule compound

methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)propanoate

Catalog ID
STL320037
SMILES COC(=O)CC(c1cc2ccccc2n(c1=O)C)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 C18H19N3O4 MW 341.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O4/c1-10-16(17(23)20-19-10)12(9-15(22)25-3)13-8-11-6-4-5-7-14(11)21(2)18(13)24/h4-8,12H,9H2,1-3H3,(H2,19,20,23)
InChIKey
XNEBPPKIQIJCRC-UHFFFAOYSA-N
Synonyms
1435975-86-2
1435975862
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC3=CC=CC=C3N(C2=O)C
COC(=O)CC(c1cc2ccccc2n(c1=O)C)c1c(C)(nH)nc1O
InChI=1SC18H19N3O4c11016(17(23)201910)12(915(22)253)13811645714(11)21(2)18(13)24h4812H9H213H3(H2192023)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(1methyl2oxo12dihydroquinolin3yl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(1methyl2oxoquinolin3yl)propanoate
MFCD28029268
ZINC000095480519
ZINC000095480520

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Available files

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