Vitas-M small molecule compound
2-(2-methoxy-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280925
SMILES COc1cc(ccc1N1C(=O)C2C(C1=O)C1CCC2C=C1)[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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-24-13-8-11(19(22)23)6-7-12(13)18-16(20)14-9-2-3-10(5-4-9)15(14)17(18)21/h2-3,6-10,14-15H,4-5H2,1H3InChIKey
RVKRGQRTAABIGB-UHFFFAOYSA-NSynonyms
2(2methoxy4nitrophenyl)3a477atetrahydro1H47ethanoisoindole13(2H)dione
COC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4CCC(C3C2=O)C=C4
COc1cc(ccc1N1C(=O)C2C(C1=O)C1CCC2C=C1)(N+)(=O)(O)
InChI=1SC17H16N2O5c12413811(19(22)23)6712(13)1816(20)1492310(549)15(14)17(18)21h236101415H45H21H3
MFCD02084275
ZINC000100178909
ZINC000101357990
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