Vitas-M small molecule compound
methyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK315986
SMILES COC(=O)C1=C(C)NC2=C(C1c1cnn(c1C)CC)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/c1-7-23-12(3)13(10-21-23)17-16(19(25)26-6)11(2)22-14-8-20(4,5)9-15(24)18(14)17/h10,17,22H,7-9H2,1-6H3InChIKey
OHZNXNYJTTVXGF-UHFFFAOYSA-NSynonyms
492425-36-2492425362
CCN1C(=C(C=N1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)C
InChI=1SC20H27N3O3c172312(3)13(102123)1716(19(25)266)11(2)2214820(45)915(24)18(14)17h101722H79H216H3
methyl4(1ethyl5methyl1Hpyrazol4yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(1ethyl5methylpyrazol4yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175199
ZINC000005728158
ZINC000005728161
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