Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK253681
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1CCC2C1
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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 C16H16N2O4 MW 300.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4/c1-8-2-5-11(7-12(8)18(21)22)17-15(19)13-9-3-4-10(6-9)14(13)16(17)20/h2,5,7,9-10,13-14H,3-4,6H2,1H3InChIKey
KNBCCCSPBSJIQQ-UHFFFAOYSA-NSynonyms
2(4methyl3nitrophenyl)hexahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O)(N+)(=O)(O)
InChI=1SC16H16N2O4c182511(712(8)18(21)22)1715(19)1393410(69)14(13)16(17)20h2579101314H346H21H3
MFCD03349839
O=C1N(c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1CCC2C1
ZINC000101701439
ZINC000239331344
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