Vitas-M small molecule compound

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

Catalog ID
STK372586
SMILES COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCC1

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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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-15-21(26(29)33-16-9-6-5-7-10-16)22(23-18(27-15)11-8-12-19(23)28)17-13-14-20(30-2)25(32-4)24(17)31-3/h13-14,16,22,27H,5-12H2,1-4H3
InChIKey
RQZOCDXAPVOEPX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OC4CCCCC4
cyclohexyl2methyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclohexyl2methyl5oxo4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H33NO6c11521(26(29)331696571016)22(2318(2715)1181219(23)28)17131420(302)25(324)24(17)313h1314162227H512H214H3
MFCD00753206
ZINC000019639428
ZINC000019639436

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Available files

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