Vitas-M small molecule compound
2-methoxyethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097704
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C20H21ClN2O6 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O6/c1-11-17(20(25)29-9-8-28-2)18(19-14(22-11)4-3-5-16(19)24)12-6-7-13(21)15(10-12)23(26)27/h6-7,10,18,22H,3-5,8-9H2,1-2H3InChIKey
PSZXBEVNAPBGTR-UHFFFAOYSA-NSynonyms
2methoxyethyl4(4chloro3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(4chloro3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CCC2
InChI=1SC20H21ClN2O6c11117(20(25)2998282)18(1914(2211)43516(19)24)126713(21)15(1012)23(26)27h67101822H3589H212H3
MFCD02188048
STK097704
ZINC000002776161
ZINC000002776162
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