Vitas-M small molecule compound
ethyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173065
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])C(=O)CCC2
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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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-4-35-27(31)24-16(2)28-20-6-5-7-21(30)26(20)25(24)18-10-13-22(23(14-18)34-3)36-15-17-8-11-19(12-9-17)29(32)33/h8-14,25,28H,4-7,15H2,1-3H3InChIKey
KNPVDVDUPWRLSN-UHFFFAOYSA-NSynonyms
397875-05-7397875057
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)CCC2)C
ethyl4(3methoxy4((4nitrobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4((4nitrophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28N2O7c143527(31)2416(2)282065721(30)26(20)25(24)18101322(23(1418)343)36151781119(12917)29(32)33h8142528H4715H213H3
MFCD02175191
ZINC000000654776
ZINC000002759244
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