Vitas-M small molecule compound
propan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK034523
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(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 C30H33NO6 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6/c1-6-35-26-16-21(12-13-25(26)37-19(5)32)28-27(30(34)36-17(2)3)18(4)31-23-14-22(15-24(33)29(23)28)20-10-8-7-9-11-20/h7-13,16-17,22,28,31H,6,14-15H2,1-5H3InChIKey
QNVFHGUPXPJLHQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC(C)C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(C)C
InChI=1SC30H33NO6c1635261621(121325(26)3719(5)32)2827(30(34)3617(2)3)18(4)31231422(1524(33)29(23)28)20108791120h7131617222831H61415H215H3
MFCD01590141
propan2yl4(4(acetyloxy)3ethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(4acetyloxy3ethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK034523
ZINC000004111809
ZINC000004111817
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