Vitas-M small molecule compound
ethyl 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK008679
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-6-35-23-11-9-8-10-20(23)27-26(29(32)36-7-2)17(3)30-21-14-19(15-22(31)28(21)27)18-12-13-24(33-4)25(16-18)34-5/h8-13,16,19,27,30H,6-7,14-15H2,1-5H3InChIKey
YOZTWWZWZWAOHR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCC)C
ethyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H33NO6c16352311981020(23)2726(29(32)3672)17(3)30211419(1522(31)28(21)27)18121324(334)25(1618)345h81316192730H671415H215H3
MFCD02224170
STK008679
ZINC000006197133
ZINC000006197172
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