Vitas-M small molecule compound
2-methoxyethyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004958
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-19-25(28(32)34-15-14-33-4)26(27-22(30-19)16-29(2,3)17-23(27)31)21-12-8-9-13-24(21)35-18-20-10-6-5-7-11-20/h5-13,26,30H,14-18H2,1-4H3InChIKey
IHEIRRWBLIQDGO-UHFFFAOYSA-NSynonyms
2methoxyethyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
2methoxyethyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C
InChI=1SC29H33NO5c11925(28(32)341514334)26(2722(3019)1629(23)1723(27)31)2112891324(21)351820106571120h5132630H1418H214H3
MFCD00770948
STK004958
ZINC000002057113
ZINC000002057114
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