Vitas-M small molecule compound
2-(2-methyl-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK280985
SMILES O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1C)[N+](=O)[O-])C3
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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 C16H14N2O4 MW 298.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4/c1-8-2-5-11(18(21)22)7-12(8)17-15(19)13-9-3-4-10(6-9)14(13)16(17)20/h2-5,7,9-10,13-14H,6H2,1H3InChIKey
DCXFLCFTSRNCSF-UHFFFAOYSA-NSynonyms
2(2methyl5nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC16H14N2O4c182511(18(21)22)712(8)1715(19)1393410(69)14(13)16(17)20h2579101314H6H21H3
MFCD01031817
O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1C)(N+)(=O)(O))C3
ZINC000100056792
ZINC000239038405
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