Vitas-M small molecule compound
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363197
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-4-26-17-11-13(9-10-15(17)23)19-18(21(25)27-5-2)12(3)22-14-7-6-8-16(24)20(14)19/h9-11,19,22-23H,4-8H2,1-3H3InChIKey
XWKPFYRFXPEHKV-UHFFFAOYSA-NSynonyms
299946-25-1299946251
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)O
ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H25NO5c1426171113(91015(17)23)1918(21(25)2752)12(3)221476816(24)20(14)19h911192223H48H213H3
MFCD00717925
ZINC000100563630
ZINC000100563631
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