Vitas-M small molecule compound
methyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006305
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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/c1-6-28-17-9-13(7-8-15(17)24)19-18(21(26)27-5)12(2)23-14-10-22(3,4)11-16(25)20(14)19/h7-9,19,23-24H,6,10-11H2,1-5H3InChIKey
YAHNWFREONALKD-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)O
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
InChI=1SC22H27NO5c162817913(7815(17)24)1918(21(26)275)12(2)23141022(34)1116(25)20(14)19h79192324H61011H215H3
methyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00717926
STK006305
ZINC000000847276
ZINC000000847277
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