Vitas-M small molecule compound

2-(4-nitrophenyl)-5-[(3-nitrophenyl)carbonyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK391559
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)c2c1cc(cc2)C(=O)c1cccc(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 C21H11N3O7 MW 417.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N3O7/c25-19(12-2-1-3-16(10-12)24(30)31)13-4-9-17-18(11-13)21(27)22(20(17)26)14-5-7-15(8-6-14)23(28)29/h1-11H
InChIKey
HVARLRJSOPTVMY-UHFFFAOYSA-N
Synonyms

2(4nitrophenyl)5((3nitrophenyl)carbonyl)1Hisoindole13(2H)dione
5(3NITROBENZOYL)2(4NITROPHENYL)ISOINDOLE13DIONE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H11N3O7c2519(1221316(1012)24(30)31)13491718(1113)21(27)22(20(17)26)145715(8614)23(28)29h111H
MFCD00591548
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)c2c1cc(cc2)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000004084409
ZINC04084409
ZINC4084409

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Available files

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