Vitas-M small molecule compound
methyl 4-(2-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407052
SMILES CCOc1c(OC)cccc1C1C(=C(C)NC2=C1C(=O)CCC2)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-5-27-20-13(8-6-11-16(20)25-3)18-17(21(24)26-4)12(2)22-14-9-7-10-15(23)19(14)18/h6,8,11,18,22H,5,7,9-10H2,1-4H3InChIKey
XJOIFOWRFRAHGS-UHFFFAOYSA-NSynonyms
879039-92-6879039926
CCOC1=C(C=CC=C1OC)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C
InChI=1SC21H25NO5c15272013(861116(20)253)1817(21(24)264)12(2)2214971015(23)19(14)18h68111822H57910H214H3
methyl4(2ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD07402535
ZINC000004945342
ZINC000004945343
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