Vitas-M small molecule compound
2-tert-butyl-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK056866
SMILES O=C1c2cc(ccc2C(=O)N1C(C)(C)C)[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 C12H12N2O4 MW 248.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O4/c1-12(2,3)13-10(15)8-5-4-7(14(17)18)6-9(8)11(13)16/h4-6H,1-3H3InChIKey
ABGBFKDLXJWKGF-UHFFFAOYSA-NSynonyms
2(TERTBUTYL)5NITROBENZO(C)AZOLINE13DIONE
2TERTBUTYL5NITRO1HISOINDOLE13(2H)DIONE
2TERTBUTYL5NITROISOINDOLE13DIONE
CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)(N+)(=O)(O)
InChI=1SC12H12N2O4c112(23)1310(15)8547(14(17)18)69(8)11(13)16h46H13H3
MFCD01005660
O=C1c2cc(ccc2C(=O)N1C(C)(C)C)(N+)(=O)(O)
STK056866
ZINC000000267255
ZINC00267255
ZINC267255
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