Vitas-M small molecule compound

2-(4-methoxy-2-nitrophenyl)-5-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK368951
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)c2c(C1=O)cc(cc2)[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 C15H9N3O7 MW 343.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9N3O7/c1-25-9-3-5-12(13(7-9)18(23)24)16-14(19)10-4-2-8(17(21)22)6-11(10)15(16)20/h2-7H,1H3
InChIKey
YBTJATZNOYNJRG-UHFFFAOYSA-N
Synonyms

2(4methoxy2nitrophenyl)5nitro1Hisoindole13(2H)dione
2(4METHOXY2NITROPHENYL)5NITROBENZO(C)AZOLIDINE13DIONE
2(4METHOXY2NITROPHENYL)5NITROISOINDOLE13DIONE
COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC15H9N3O7c12593512(13(79)18(23)24)1614(19)10428(17(21)22)611(10)15(16)20h27H1H3
MFCD00381930
ZINC000004017236
ZINC04017236
ZINC4017236

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Available files

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