Vitas-M small molecule compound

3,3-dimethyl-2-oxobutyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

Catalog ID
STK388204
SMILES O=C(CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])OCC(=O)C(C)(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 C16H16N2O7 MW 348.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O7/c1-16(2,3)11(19)8-25-12(20)7-17-14(21)9-5-4-6-10(18(23)24)13(9)15(17)22/h4-6H,7-8H2,1-3H3
InChIKey
AQJWWQGNSOPFHI-UHFFFAOYSA-N
Synonyms
432014-96-5
(33DIMETHYL2OXOBUTYL)2(4NITRO13DIOXOISOINDOL2YL)ACETATE
33DIMETHYL2OXOBUTYL(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)ACETATE
432014965
CC(C)(C)C(=O)COC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)(N+)(=O)(O)
InChI=1SC16H16N2O7c116(23)11(19)82512(20)71714(21)954610(18(23)24)13(9)15(17)22h46H78H213H3
MFCD03037610
O=C(CN1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))OCC(=O)C(C)(C)C
ZINC000000572066
ZINC00572066
ZINC572066

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Available files

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