Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[6-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydroquinolin-3-yl]propanoate
Catalog ID
STL320667
SMILES COC(=O)CC(c1cc2cc(C)ccc2n(c1=O)CC(C)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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-12(2)11-25-18-7-6-13(3)8-15(18)9-17(22(25)28)16(10-19(26)29-5)20-14(4)23-24-21(20)27/h6-9,12,16H,10-11H2,1-5H3,(H2,23,24,27)InChIKey
HCHBKWLZQGKEEQ-UHFFFAOYSA-NSynonyms
1435979-45-51435979455
CC1=CC2=C(C=C1)N(C(=O)C(=C2)C(CC(=O)OC)C3=C(NNC3=O)C)CC(C)C
COC(=O)CC(c1cc2cc(C)ccc2n(c1=O)CC(C)C)c1c(C)(nH)nc1O
InChI=1SC22H27N3O4c112(2)1125187613(3)815(18)917(22(25)28)16(1019(26)295)2014(4)232421(20)27h691216H1011H215H3(H2232427)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(6methyl1(2methylpropyl)2oxo12dihydroquinolin3yl)propanoate
methyl3(6methyl1(2methylpropyl)2oxoquinolin3yl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28029624
ZINC000095480972
ZINC000095480973
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