Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402476
SMILES O=C(C1=C(C)NC2=C(C1c1ccncc1)C(=O)CC(C2)(C)C)OCC1CCCO1
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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 C23H28N2O4 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4/c1-14-19(22(27)29-13-16-5-4-10-28-16)20(15-6-8-24-9-7-15)21-17(25-14)11-23(2,3)12-18(21)26/h6-9,16,20,25H,4-5,10-13H2,1-3H3InChIKey
HZERHYRRUCVMGY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)OCC4CCCO4
InChI=1SC23H28N2O4c11419(22(27)29131654102816)20(1568249715)2117(2514)1123(23)1218(21)26h69162025H451013H213H3
MFCD01461900
oxolan2ylmethyl277trimethyl5oxo4pyridin4yl1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
ZINC000100074341
ZINC000100074353
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