Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK089579
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)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 C24H28N2O8 MW 472.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O8/c1-3-32-19-11-14(10-17(23(19)28)26(30)31)21-20(24(29)34-12-15-6-5-9-33-15)13(2)25-16-7-4-8-18(27)22(16)21/h10-11,15,21,25,28H,3-9,12H2,1-2H3InChIKey
RKLJFTMXRLCRAG-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4CCCO4)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
InChI=1SC24H28N2O8c1332191114(1017(23(19)28)26(30)31)2120(24(29)3412156593315)13(2)251674818(27)22(16)21h101115212528H3912H212H3
MFCD01975538
oxolan2ylmethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK089579
tetrahydrofuran2ylmethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000095393724
ZINC000095393727
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