Vitas-M small molecule compound
butyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371127
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)(C)C
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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 C23H28N2O6 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O6/c1-5-6-9-31-22(28)19-13(2)24-15-11-23(3,4)12-18(27)21(15)20(19)14-7-8-17(26)16(10-14)25(29)30/h7-8,10,20,24,26H,5-6,9,11-12H2,1-4H3InChIKey
UNKJTUZXWYWENM-UHFFFAOYSA-NSynonyms
296262-85-6296262856
butyl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC23H28N2O6c15693122(28)1913(2)24151123(34)1218(27)21(15)20(19)147817(26)16(1014)25(29)30h7810202426H5691112H214H3
MFCD00325681
ZINC000100505461
ZINC000100505463
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