Vitas-M small molecule compound
1',5-dimethyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Catalog ID
STK769040
SMILES O=C1N(C)c2c(C31OCC(CO3)(C)[N+](=O)[O-])cccc2
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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 C13H14N2O5 MW 278.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O5/c1-12(15(17)18)7-19-13(20-8-12)9-5-3-4-6-10(9)14(2)11(13)16/h3-6H,7-8H2,1-2H3InChIKey
NAWXMKLQYPGUBU-UHFFFAOYSA-NSynonyms
15dimethyl5nitrospiro(13dioxane23indol)2(1H)one
15DIMETHYL5NITROSPIRO(13DIOXANE23INDOLE)2ONE
57DIMETHYL5NITROSPIRO(13DIOXANE23INDOLINE)8ONE
CC1(COC2(C3=CC=CC=C3N(C2=O)C)OC1)(N+)(=O)(O)
InChI=1SC13H14N2O5c112(15(17)18)71913(20812)9534610(9)14(2)11(13)16h36H78H212H3
MFCD03196758
O=C1N(C)c2c(C31OCC(CO3)(C)(N+)(=O)(O))cccc2
ZINC000004580318
ZINC04580318
ZINC4580318
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