Vitas-M small molecule compound
ethyl 4-(2-butoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050443
SMILES CCCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OCC)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 C31H37NO6 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO6/c1-6-8-15-38-25-12-10-9-11-22(25)29-28(31(34)37-7-2)19(3)32-23-16-21(17-24(33)30(23)29)20-13-14-26(35-4)27(18-20)36-5/h9-14,18,21,29,32H,6-8,15-17H2,1-5H3InChIKey
LUKYBYWFWGJMNK-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCC)C
CCCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OCC)C
ethyl4(2butoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(2butoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H37NO6c168153825121091122(25)2928(31(34)3772)19(3)32231621(1724(33)30(23)29)20131426(354)27(1820)365h91418212932H681517H215H3
MFCD02224270
STK050443
ZINC000006162085
ZINC000006162109
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