Vitas-M small molecule compound

2-methylpropyl 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK290174
SMILES CC(COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])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 C19H16N2O6 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O6/c1-11(2)10-27-19(24)12-5-3-6-13(9-12)20-17(22)14-7-4-8-15(21(25)26)16(14)18(20)23/h3-9,11H,10H2,1-2H3
InChIKey
SCDHPRREBHUHGF-UHFFFAOYSA-N
Synonyms

2methylpropyl3(4nitro13dioxo13dihydro2Hisoindol2yl)benzoate
2METHYLPROPYL3(4NITRO13DIOXOBENZO(C)AZOLIN2YL)BENZOATE
2METHYLPROPYL3(4NITRO13DIOXOISOINDOL2YL)BENZOATE
3(4NITRO13DIOXO13DIHYDROISOINDOL2YL)BENZOICACIDISOBUTYLESTER
CC(C)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
CC(COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C
InChI=1SC19H16N2O6c111(2)102719(24)1253613(912)2017(22)1474815(21(25)26)16(14)18(20)23h3911H10H212H3
MFCD00632554
ZINC000000704747
ZINC00704747
ZINC704747

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Available files

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