Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK034400
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)CC(C2)(C)C)OCC1CCCO1
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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 C24H27ClN2O6 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O6/c1-13-20(23(29)33-12-15-5-4-8-32-15)21(14-6-7-16(25)18(9-14)27(30)31)22-17(26-13)10-24(2,3)11-19(22)28/h6-7,9,15,21,26H,4-5,8,10-12H2,1-3H3InChIKey
WSUPHLAFYZQHLX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)OCC4CCCO4
InChI=1SC24H27ClN2O6c11320(23(29)3312155483215)21(146716(25)18(914)27(30)31)2217(2613)1024(23)1119(22)28h679152126H4581012H213H3
MFCD02188056
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl4(4chloro3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK034400
tetrahydrofuran2ylmethyl4(4chloro3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001213161
ZINC000001213177
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