Vitas-M small molecule compound
2-ethoxyethyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372548
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)C(=O)CC(C2)(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 C25H33NO4 MW 411.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO4/c1-6-17-8-10-18(11-9-17)22-21(24(28)30-13-12-29-7-2)16(3)26-19-14-25(4,5)15-20(27)23(19)22/h8-11,22,26H,6-7,12-15H2,1-5H3InChIKey
FQCFUYOPAVKGGS-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOCC)C
InChI=1SC25H33NO4c161781018(11917)2221(24(28)3013122972)16(3)26191425(45)1520(27)23(19)22h8112226H671215H215H3
MFCD00753090
ZINC000004066108
ZINC000004066111
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