Vitas-M small molecule compound
propyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK005706
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)c1ccc(c(c1)OC)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/c1-6-12-35-29(32)26-18(3)30-22-14-21(19-10-11-24(33-4)25(16-19)34-5)15-23(31)28(22)27(26)20-9-7-8-17(2)13-20/h7-11,13,16,21,27,30H,6,12,14-15H2,1-5H3InChIKey
OCOHEIAFHKWTEI-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)C)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC29H33NO5c16123529(32)2618(3)30221421(19101124(334)25(1619)345)1523(31)28(22)27(26)2097817(2)1320h7111316212730H6121415H215H3
MFCD02224197
propyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
propyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK005706
ZINC000002772110
ZINC000002772113
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