Vitas-M small molecule compound
2-phenylethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757582
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-5-34-24-15-20(11-12-22(24)31)26-25(28(33)35-14-13-19-9-7-6-8-10-19)18(2)30-21-16-29(3,4)17-23(32)27(21)26/h6-12,15,26,30-31H,5,13-14,16-17H2,1-4H3InChIKey
QWLKBMUGBVGUPJ-UHFFFAOYSA-NSynonyms
2phenylethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC4=CC=CC=C4)C)O
InChI=1SC29H33NO5c1534241520(111222(24)31)2625(28(33)3514131997681019)18(2)30211629(34)1723(32)27(21)26h61215263031H513141617H214H3
MFCD01306169
ZINC000006195938
ZINC000006196026
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