Vitas-M small molecule compound

2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK041909
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C26H25BrClNO4 MW 530.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO4/c1-15-23(26(31)33-12-11-32-2)24(19-5-3-4-6-20(19)27)25-21(29-15)13-17(14-22(25)30)16-7-9-18(28)10-8-16/h3-10,17,24,29H,11-14H2,1-2H3
InChIKey
KZQKNWGEMHCVPE-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Br)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC26H25BrClNO4c11523(26(31)331211322)24(19534620(19)27)2521(2915)1317(1422(25)30)167918(28)10816h310172429H1114H212H3
MFCD02632937
STK041909
ZINC000002765647
ZINC000059844890

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Available files

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