Vitas-M small molecule compound
methyl 3-(5-benzyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-hydroxyquinolin-3-yl)propanoate
Catalog ID
STL409507
SMILES COC(=O)CC(c1c([nH][nH]c1=O)Cc1ccccc1)c1cc2ccccc2nc1O
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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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-30-20(27)13-16(17-12-15-9-5-6-10-18(15)24-22(17)28)21-19(25-26-23(21)29)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,24,28)(H2,25,26,29)InChIKey
VEBVBTKLHYKGGQ-UHFFFAOYSA-NSynonyms
1574401-72-11574401721
COC(=O)CC(C1=CC2=CC=CC=C2NC1=O)C3=C(NNC3=O)CC4=CC=CC=C4
COC(=O)CC(c1c((nH)(nH)c1=O)Cc1ccccc1)c1cc2ccccc2nc1O
InChI=1SC23H21N3O4c13020(27)1316(1712159561018(15)2422(17)28)2119(252623(21)29)11147324814h2101216H1113H21H3(H2428)(H2252629)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(2oxo1Hquinolin3yl)propanoate
methyl3(5benzyl3oxo23dihydro1Hpyrazol4yl)3(2hydroxyquinolin3yl)propanoate
MFCD30705749
ZINC000096230735
ZINC000096230736
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