Vitas-M small molecule compound
pentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370770
SMILES CCCCCOC(=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 C24H30N2O6 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O6/c1-5-6-7-10-32-23(29)20-14(2)25-16-12-24(3,4)13-19(28)22(16)21(20)15-8-9-18(27)17(11-15)26(30)31/h8-9,11,21,25,27H,5-7,10,12-13H2,1-4H3InChIKey
VSABCQWFCNSOKP-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
InChI=1SC24H30N2O6c1567103223(29)2014(2)25161224(34)1319(28)22(16)21(20)158918(27)17(1115)26(30)31h8911212527H57101213H214H3
MFCD00325300
pentyl4(4hydroxy3nitrophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4hydroxy3nitrophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000096298927
ZINC000096298928
Check stock
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