Vitas-M small molecule compound

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

Catalog ID
STL176459
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)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 C28H29BrClNO4 MW 558.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrClNO4/c1-5-34-27(33)24-16(2)31-21-13-28(3,4)14-22(32)26(21)25(24)20-12-18(29)8-11-23(20)35-15-17-6-9-19(30)10-7-17/h6-12,25,31H,5,13-15H2,1-4H3
InChIKey
PUFNNKRQCYLHDL-UHFFFAOYSA-N
Synonyms
741279-38-9
741279389
CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)C(=O)CC(C2)(C)C)C
ethyl4(5bromo2((4chlorobenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5bromo2((4chlorophenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC28H29BrClNO4c153427(33)2416(2)31211328(34)1422(32)26(21)25(24)201218(29)81123(20)3515176919(30)10717h6122531H51315H214H3
MFCD03883555
ZINC000002756206
ZINC000002756207

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Available files

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