Vitas-M small molecule compound

methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363335
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)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 C20H22BrNO5 MW 436.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO5/c1-10-17(20(24)27-4)18(19-13(22-10)6-5-7-14(19)23)11-8-15(25-2)16(26-3)9-12(11)21/h8-9,18,22H,5-7H2,1-4H3
InChIKey
JJOIRSWDZKBYTD-UHFFFAOYSA-N
Synonyms
313244-44-9
313244449
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OC
InChI=1SC20H22BrNO5c11017(20(24)274)18(1913(2210)65714(19)23)11815(252)16(263)912(11)21h891822H57H214H3
methyl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01367214
ZINC000019770903
ZINC000019770904

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.