Vitas-M small molecule compound
ethyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL402636
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cn(nc1C)C)C(=O)CC(C2)(C)C
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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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-7-26-19(25)16-12(3)21-14-8-20(4,5)9-15(24)18(14)17(16)13-10-23(6)22-11(13)2/h10,17,21H,7-9H2,1-6H3InChIKey
TXVJPAMYTSSVTC-UHFFFAOYSA-NSynonyms
1006351-71-81006351718
CCOC(=O)C1=C(NC2=C(C1C3=CN(N=C3C)C)C(=O)CC(C2)(C)C)C
ethyl4(13dimethyl1Hpyrazol4yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(13dimethylpyrazol4yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC20H27N3O3c172619(25)1612(3)2114820(45)915(24)18(14)17(16)131023(6)2211(13)2h101721H79H216H3
MFCD08555847
ZINC000020607774
ZINC000020607775
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