Vitas-M small molecule compound
benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372355
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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/c1-6-34-23-13-12-20(14-24(23)33-5)26-25(28(32)35-17-19-10-8-7-9-11-19)18(2)30-21-15-29(3,4)16-22(31)27(21)26/h7-14,26,30H,6,15-17H2,1-5H3InChIKey
MNNSCQITPCOAHO-UHFFFAOYSA-NSynonyms
benzyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C)OC
InChI=1SC29H33NO5c163423131220(1424(23)335)2625(28(32)351719108791119)18(2)30211529(34)1622(31)27(21)26h7142630H61517H215H3
MFCD00753318
ZINC000000726674
ZINC000000726675
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Check stock on Vitas-MAvailable files
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