Vitas-M small molecule compound
cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371843
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C)OC1CCCC1
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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 C24H28N2O6 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O6/c1-13-20(23(29)32-15-6-4-5-7-15)21(14-8-9-18(27)17(10-14)26(30)31)22-16(25-13)11-24(2,3)12-19(22)28/h8-10,15,21,25,27H,4-7,11-12H2,1-3H3InChIKey
YFEIILPTXBOBJL-UHFFFAOYSA-NSynonyms
299408-03-0299408030
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)OC4CCCC4
cyclopentyl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC24H28N2O6c11320(23(29)3215645715)21(148918(27)17(1014)26(30)31)2216(2513)1124(23)1219(22)28h81015212527H471112H213H3
MFCD00619529
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C)OC1CCCC1
ZINC000100505833
ZINC000100505836
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