Vitas-M small molecule compound
2-phenoxyethyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK061620
SMILES CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1)CC
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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 C31H38N2O4 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O4/c1-6-33(7-2)23-15-13-22(14-16-23)28-27(30(35)37-18-17-36-24-11-9-8-10-12-24)21(3)32-25-19-31(4,5)20-26(34)29(25)28/h8-16,28,32H,6-7,17-20H2,1-5H3InChIKey
CPWRPAWWIAWLJA-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1)CC
CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
InChI=1SC31H38N2O4c1633(72)23151322(141623)2827(30(35)37181736241198101224)21(3)32251931(45)2026(34)29(25)28h8162832H671720H215H3
MFCD01193815
STK061620
ZINC000004046173
ZINC000004046179
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