Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363128
SMILES O=C(C1=C(C)NC2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C25H26N2O3 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3/c1-16-21(24(29)30-15-17-8-5-4-6-9-17)22(18-10-7-11-26-14-18)23-19(27-16)12-25(2,3)13-20(23)28/h4-11,14,22,27H,12-13,15H2,1-3H3InChIKey
OTQQYRMAPJSXMG-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4(pyridin3yl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4pyridin3yl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4
InChI=1SC25H26N2O3c11621(24(29)3015178546917)22(1810711261418)2319(2716)1225(23)1320(23)28h411142227H121315H213H3
MFCD00334884
ZINC000000752196
ZINC000000752197
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