Vitas-M small molecule compound

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

Catalog ID
STK376644
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccccc1Cl

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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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-14-23(27(31)35-5)24(16-12-21(32-2)26(34-4)22(13-16)33-3)25-19(29-14)10-15(11-20(25)30)17-8-6-7-9-18(17)28/h6-9,12-13,15,24,29H,10-11H2,1-5H3
InChIKey
NDLNEILXTKLSFL-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC
InChI=1SC27H28ClNO6c11423(27(31)355)24(161221(322)26(344)22(1316)333)2519(2914)1015(1120(25)30)17867918(17)28h691213152429H1011H215H3
methyl7(2chlorophenyl)2methyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
methyl7(2chlorophenyl)2methyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD01193796
ZINC000019770805
ZINC000019770808

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Available files

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