Vitas-M small molecule compound
3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404684
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC
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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 C23H26N2O8 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O8/c1-12-10-16-20(21(26)17(12)22(27)32-4)19(14-6-5-7-15(11-14)25(29)30)18(13(2)24-16)23(28)33-9-8-31-3/h5-7,11-12,17,19,24H,8-10H2,1-4H3InChIKey
KFFLFDYNZODULP-UHFFFAOYSA-NSynonyms
3(2methoxyethyl)6methyl27dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2methoxyethyl)6Omethyl27dimethyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OCCOC)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C1C(=O)OC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
InChI=1SC23H26N2O8c112101620(21(26)17(12)22(27)324)19(1465715(1114)25(29)30)18(13(2)2416)23(28)3398313h571112171924H810H214H3
MFCD06193922
ZINC000004766475
ZINC000004766488
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