Vitas-M small molecule compound
2-(2-methoxy-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK280753
SMILES COc1cc(ccc1N1C(=O)C2C(C1=O)C1CC2C=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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-23-12-7-10(18(21)22)4-5-11(12)17-15(19)13-8-2-3-9(6-8)14(13)16(17)20/h2-5,7-9,13-14H,6H2,1H3InChIKey
ONVNFFHNCFENJI-UHFFFAOYSA-NSynonyms
2(2methoxy4nitrophenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4CC(C3C2=O)C=C4
COc1cc(ccc1N1C(=O)C2C(C1=O)C1CC2C=C1)(N+)(=O)(O)
InChI=1SC16H14N2O5c12312710(18(21)22)4511(12)1715(19)138239(68)14(13)16(17)20h25791314H6H21H3
MFCD01931264
ZINC000100178698
ZINC000101357918
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