Vitas-M small molecule compound
decyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK661386
SMILES CCCCCCCCCCOC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
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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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-2-3-4-5-6-7-8-9-16-33-25(30)18-12-10-13-19(17-18)26-23(28)20-14-11-15-21(27(31)32)22(20)24(26)29/h10-15,17H,2-9,16H2,1H3InChIKey
FLAFEBJFXWNHFY-UHFFFAOYSA-NSynonyms
3(4NITRO13DIOXO13DIHYDROISOINDOL2YL)BENZOICACIDDECYLESTER
CCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
CCCCCCCCCCOC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
decyl3(4nitro13dioxo13dihydro2Hisoindol2yl)benzoate
DECYL3(4NITRO13DIOXOBENZO(C)AZOLIDIN2YL)BENZOATE
DECYL3(4NITRO13DIOXOISOINDOL2YL)BENZOATE
InChI=1SC25H28N2O6c123456789163325(30)1812101319(1718)2623(28)2014111521(27(31)32)22(20)24(26)29h101517H2916H21H3
MFCD00320929
ZINC000097994447
ZINC97994447
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