Vitas-M small molecule compound

2-(3-nitrophenyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione

Catalog ID
STL329913
SMILES O=C1C2C(C(=O)N1c1cccc(c1)[N+](=O)[O-])C1CC(=O)C2c2c1cccc2

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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 C20H14N2O5 MW 362.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O5/c23-15-9-14-12-6-1-2-7-13(12)16(15)18-17(14)19(24)21(20(18)25)10-4-3-5-11(8-10)22(26)27/h1-8,14,16-18H,9H2
InChIKey
UGQUNBCGFMJVEJ-UHFFFAOYSA-N
Synonyms

(3aS4R9S9aR)2(3nitrophenyl)3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
2(3nitrophenyl)3a499atetrahydro1H49ethanobenzo(f)isoindole1310(2H)trione
C1C2C3C(C(C1=O)C4=CC=CC=C24)C(=O)N(C3=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC20H14N2O5c231591412612713(12)16(15)1817(14)19(24)21(20(18)25)1043511(810)22(26)27h18141618H9H2
MFCD02988962
O=C1C2C(C(=O)N1c1cccc(c1)(N+)(=O)(O))C1CC(=O)C2c2c1cccc2
ZINC000100767554
ZINC000239415384

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Available files

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