Vitas-M small molecule compound
2-methylpropyl 4-(4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363571
SMILES COc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(C)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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-17(2)16-33-28(31)25-18(3)29-23-14-21(19-8-6-5-7-9-19)15-24(30)27(23)26(25)20-10-12-22(32-4)13-11-20/h5-13,17,21,26,29H,14-16H2,1-4H3InChIKey
TZHQCUTUDAQUHL-UHFFFAOYSA-NSynonyms
2methylpropyl4(4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)OCC(C)C
InChI=1SC28H31NO4c117(2)163328(31)2518(3)29231421(198657919)1524(30)27(23)26(25)20101222(324)131120h51317212629H1416H214H3
MFCD01445630
ZINC000000666735
ZINC000000666739
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Check stock on Vitas-MAvailable files
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