Vitas-M small molecule compound

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

Catalog ID
STK968333
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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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 C29H32N2O7 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O7/c1-6-37-28(33)25-17(2)30-21-14-29(3,4)15-22(32)27(21)26(25)19-9-12-23(24(13-19)36-5)38-16-18-7-10-20(11-8-18)31(34)35/h7-13,26,30H,6,14-16H2,1-5H3
InChIKey
PFODZZJPMFZRTC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)CC(C2)(C)C)C
ethyl4(3methoxy4((4nitrobenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4((4nitrophenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H32N2O7c163728(33)2517(2)30211429(34)1522(32)27(21)26(25)1991223(24(1319)365)38161871020(11818)31(34)35h7132630H61416H215H3
MFCD02175048
ZINC000001085028
ZINC000001085029

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Available files

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