Vitas-M small molecule compound
4,4-dimethyl-1-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
Catalog ID
STL054926
SMILES [O-][N+](=O)c1ccc(cc1)n1cccc1C1OC(=O)C(C(=O)C21CCCCC2)(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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-21(2)19(25)22(12-4-3-5-13-22)18(29-20(21)26)17-7-6-14-23(17)15-8-10-16(11-9-15)24(27)28/h6-11,14,18H,3-5,12-13H2,1-2H3InChIKey
NXLUMXTWTSVDNI-UHFFFAOYSA-NSynonyms
696614-07-0(O)(N+)(=O)c1ccc(cc1)n1cccc1C1OC(=O)C(C(=O)C21CCCCC2)(C)C
44dimethyl1(1(4nitrophenyl)1Hpyrrol2yl)2oxaspiro(55)undecane35dione
44DIMETHYL1(1(4NITROPHENYL)2PYRROLYL)2OXASPIRO(55)UNDECANE35DIONE
44DIMETHYL1(1(4NITROPHENYL)PYRROL2YL)2OXASPIRO(55)UNDECANE35DIONE
44DIMETHYL1(1(4NITROPHENYL)PYRROL2YL)2OXASPIRO(55)UNDECANE35QUINONE
696614070
CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CN3C4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC22H24N2O5c121(2)19(25)22(124351322)18(2920(21)26)17761423(17)1581016(11915)24(27)28h6111418H351213H212H3
MFCD04156958
ZINC000001316005
ZINC000001316006
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