Vitas-M small molecule compound
methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003685
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC)c1cc(Cl)c(c(c1)OC)O
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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 C26H26ClNO6 MW 483.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO6/c1-13-22(26(31)34-4)23(16-9-18(27)25(30)21(12-16)33-3)24-19(28-13)10-15(11-20(24)29)14-5-7-17(32-2)8-6-14/h5-9,12,15,23,28,30H,10-11H2,1-4H3InChIKey
YHUZSEZJRZPRTL-UHFFFAOYSA-NSynonyms
312597-15-2312597152
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC)c1cc(Cl)c(c(c1)OC)O
InChI=1SC26H26ClNO6c11322(26(31)344)23(16918(27)25(30)21(1216)333)2419(2813)1015(1120(24)29)145717(322)8614h591215232830H1011H214H3
methyl4(3chloro4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3chloro4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01824422
STK003685
ZINC000000861448
ZINC000000861451
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