Vitas-M small molecule compound
4,4-dimethyl-3-(3-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione
Catalog ID
STL329095
SMILES [O-][N+](=O)c1cccc(c1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2
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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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-17(2)14(12-7-6-8-13(11-12)19(22)23)24-16(21)18(15(17)20)9-4-3-5-10-18/h6-8,11,14H,3-5,9-10H2,1-2H3InChIKey
PMHVYPKNSLANMB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)C1OC(=O)C2(C(=O)C1(C)C)CCCCC2
44dimethyl3(3nitrophenyl)2oxaspiro(55)undecane15dione
88DIMETHYL9(3NITROPHENYL)10OXASPIRO(55)UNDECANE711DIONE
CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC18H21NO5c117(2)14(1276813(1112)19(22)23)2416(21)18(15(17)20)94351018h681114H35910H212H3
MFCD02240557
ZINC000000507634
ZINC000000507635
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