Vitas-M small molecule compound
methyl 4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK959473
SMILES COC(=O)C1=C(C)NC2=C(C1c1c(C)nn(c1C)c1ccccc1)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 C25H29N3O3 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3/c1-14-21(24(30)31-6)23(22-18(26-14)12-25(4,5)13-19(22)29)20-15(2)27-28(16(20)3)17-10-8-7-9-11-17/h7-11,23,26H,12-13H2,1-6H3InChIKey
DXTHVUIRMCTZTL-UHFFFAOYSA-NSynonyms
492425-30-6492425306
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(N(N=C3C)C4=CC=CC=C4)C)C(=O)OC
InChI=1SC25H29N3O3c11421(24(30)316)23(2218(2614)1225(45)1319(22)29)2015(2)2728(16(20)3)17108791117h7112326H1213H216H3
methyl4(35dimethyl1phenyl1Hpyrazol4yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(35dimethyl1phenylpyrazol4yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175139
ZINC000004631400
ZINC000004631401
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