Vitas-M small molecule compound
methyl 4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173039
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)C)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/c1-17-7-9-19(10-8-17)16-35-23-12-11-20(13-24(23)33-5)26-25(28(32)34-6)18(2)30-21-14-29(3,4)15-22(31)27(21)26/h7-13,26,30H,14-16H2,1-6H3InChIKey
GSYTXBOVGHKWGM-UHFFFAOYSA-NSynonyms
380647-20-1380647201
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC)C)OC
InChI=1SC29H33NO5c1177919(10817)163523121120(1324(23)335)2625(28(32)346)18(2)30211429(34)1522(31)27(21)26h7132630H1416H216H3
methyl4(3methoxy4((4methylbenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((4methylphenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175001
ZINC000008397045
ZINC000008397053
Check stock
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Check stock on Vitas-MAvailable files
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