Vitas-M small molecule compound

2-{[(E)-{2-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL384354
SMILES O=C1N(/N=C/c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C1

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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 C23H19N3O5 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5/c27-22-20-15-7-8-16(11-15)21(20)23(28)25(22)24-12-17-3-1-2-4-19(17)31-13-14-5-9-18(10-6-14)26(29)30/h1-10,12,15-16,20-21H,11,13H2/b24-12+
InChIKey
DPZVTARSLXDWKA-WYMPLXKRSA-N
Synonyms

2(((E)(2((4nitrobenzyl)oxy)phenyl)methylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=CC=CC=C4OCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H19N3O5c272220157816(1115)21(20)23(28)25(22)241217312419(17)3113145918(10614)26(29)30h1101215162021H1113H2b2412+
MFCD03136345
O=C1N(N=Cc2ccccc2OCc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
ZINC000100795899
ZINC000245226580

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Available files

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