Vitas-M small molecule compound
propyl 4-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019337
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-5-15-35-29(32)26-18(3)30-24-16-21(19-7-11-22(33-4)12-8-19)17-25(31)28(24)27(26)20-9-13-23(14-10-20)34-6-2/h7-14,21,27,30H,5-6,15-17H2,1-4H3InChIKey
QKYBTVQKLHFLMM-UHFFFAOYSA-NSynonyms
BENZENE12BIS(METHOXYMETHYL)
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC29H33NO5c15153529(32)2618(3)30241621(1971122(334)12819)1725(31)28(24)27(26)2091323(141020)3462h714212730H561517H214H3
MFCD01824305
propyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK019337
ZINC000002758194
ZINC000002758197
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