Vitas-M small molecule compound
methyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366733
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC)OC
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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-12-18(21(25)28-6)19(14-9-13(26-4)7-8-17(14)27-5)20-15(23-12)10-22(2,3)11-16(20)24/h7-9,19,23H,10-11H2,1-6H3InChIKey
WDPKWELJQRXXBC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)OC)OC)C(=O)OC
InChI=1SC22H27NO5c11218(21(25)286)19(14913(264)7817(14)275)2015(2312)1022(23)1116(20)24h791923H1011H216H3
methyl4(25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00356468
ZINC000000676008
ZINC000000676013
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