Vitas-M small molecule compound
methyl 4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK955883
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1c(C)cc(cc1C)C)C(=O)CCC2
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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/c1-16-12-17(2)21(18(3)13-16)15-35-24-11-10-20(14-25(24)33-5)27-26(29(32)34-6)19(4)30-22-8-7-9-23(31)28(22)27/h10-14,27,30H,7-9,15H2,1-6H3InChIKey
FGYSKIRLMSBOLD-UHFFFAOYSA-NSynonyms
438197-15-0438197150
CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)OC)C)OC)C
InChI=1SC29H33NO5c1161217(2)21(18(3)1316)153524111020(1425(24)335)2726(29(32)346)19(4)302287923(31)28(22)27h10142730H7915H216H3
methyl4(3methoxy4((246trimethylbenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((246trimethylphenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03073905
ZINC000008440914
ZINC000008440921
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