Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK164615
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-5-26-21(25)18-12(2)23-14-9-22(3,4)10-15(24)20(14)19(18)13-6-7-16-17(8-13)28-11-27-16/h6-8,19,23H,5,9-11H2,1-4H3InChIKey
RHTGBSHHSSJXAR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C
ethyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H25NO5c152621(25)1812(2)2314922(34)1015(24)20(14)19(18)13671617(813)28112716h681923H5911H214H3
MFCD00356470
ZINC000000628841
ZINC000000628844
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