Vitas-M small molecule compound
cyclohexyl 4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076177
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)C(=O)OC1CCCCC1)C
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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 C34H42N2O4 MW 542.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N2O4/c1-5-36(6-2)26-16-12-24(13-17-26)32-31(34(38)40-28-10-8-7-9-11-28)22(3)35-29-20-25(21-30(37)33(29)32)23-14-18-27(39-4)19-15-23/h12-19,25,28,32,35H,5-11,20-21H2,1-4H3InChIKey
MGLBASKIJQATJT-UHFFFAOYSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC5CCCCC5)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)N(CC)CC)C(=O)OC1CCCCC1)C
cyclohexyl4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4(diethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC34H42N2O4c1536(62)26161224(131726)3231(34(38)4028108791128)22(3)35292025(2130(37)33(29)32)23141827(394)191523h121925283235H5112021H214H3
MFCD01825140
STK076177
ZINC000100579368
ZINC000100579378
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