Vitas-M small molecule compound
4,4-dimethyl-1-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2-oxaspiro[5.5]undecane-3,5-dione
Catalog ID
STL056080
SMILES [O-][N+](=O)c1cccc(c1)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(11-4-3-5-12-22)18(29-20(21)26)17-10-7-13-23(17)15-8-6-9-16(14-15)24(27)28/h6-10,13-14,18H,3-5,11-12H2,1-2H3InChIKey
QZDPHUITRFSMAL-UHFFFAOYSA-NSynonyms
708226-07-7(O)(N+)(=O)c1cccc(c1)n1cccc1C1OC(=O)C(C(=O)C21CCCCC2)(C)C
44dimethyl1(1(3nitrophenyl)1Hpyrrol2yl)2oxaspiro(55)undecane35dione
44dimethyl1(1(3nitrophenyl)pyrrol2yl)2oxaspiro(55)undecane35dione
708226077
CC1(C(=O)C2(CCCCC2)C(OC1=O)C3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC22H24N2O5c121(2)19(25)22(114351222)18(2920(21)26)171071323(17)1586916(1415)24(27)28h610131418H351112H212H3
MFCD04165988
ZINC000001121798
ZINC000001121800
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