Vitas-M small molecule compound
methyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363166
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-4-5-15-33-24-14-10-9-13-21(24)26-25(28(31)32-3)18(2)29-22-16-20(17-23(30)27(22)26)19-11-7-6-8-12-19/h6-14,20,26,29H,4-5,15-17H2,1-3H3InChIKey
KXTDPSFRKVEGGC-UHFFFAOYSA-NSynonyms
297734-98-6297734986
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C
InChI=1SC28H31NO4c145153324141091321(24)2625(28(31)323)18(2)29221620(1723(30)27(22)26)19117681219h614202629H451517H213H3
methyl4(2butoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(2butoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00614956
ZINC000004060369
ZINC000004060374
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Check stock on Vitas-MAvailable files
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