Vitas-M small molecule compound

methyl 4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL173064
SMILES COC(=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 C26H26N2O7 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7/c1-15-23(26(30)34-3)24(25-19(27-15)5-4-6-20(25)29)17-9-12-21(22(13-17)33-2)35-14-16-7-10-18(11-8-16)28(31)32/h7-13,24,27H,4-6,14H2,1-3H3
InChIKey
LSHBMSICWLCGHW-UHFFFAOYSA-N
Synonyms
397875-03-5
397875035
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
InChI=1SC26H26N2O7c11523(26(30)343)24(2519(2715)54620(25)29)1791221(22(1317)332)35141671018(11816)28(31)32h7132427H4614H213H3
methyl4(3methoxy4((4nitrobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((4nitrophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175227
ZINC000000654764
ZINC000000654769

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Available files

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