Vitas-M small molecule compound

2,8-bis(3-nitrophenyl)-5-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydro-6,10-ethenoisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

Catalog ID
STK663687
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2C1CC(=C1C2C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

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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 C34H24N4O8 MW 616.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24N4O8/c39-31-25-16-24(17-6-2-1-3-7-17)26-22-12-13-23(27(26)30(25)34(42)35(31)18-8-4-10-20(14-18)37(43)44)29-28(22)32(40)36(33(29)41)19-9-5-11-21(15-19)38(45)46/h1-15,22-23,25,27-30H,16H2
InChIKey
YFWYOSOEEHFARG-UHFFFAOYSA-N
Synonyms

28bis(3nitrophenyl)5phenyl3a466a9a1010a10boctahydro610ethenoisoindolo(56e)isoindole1379(2H8H)tetrone
C1C2C(C3C4C=CC(C3=C1C5=CC=CC=C5)C6C4C(=O)N(C6=O)C7=CC(=CC=C7)(N+)(=O)(O))C(=O)N(C2=O)C8=CC(=CC=C8)(N+)(=O)(O)
InChI=1SC34H24N4O8c3931251624(176213717)2622121323(27(26)30(25)34(42)35(31)18841020(1418)37(43)44)2928(22)32(40)36(33(29)41)19951121(1519)38(45)46h1152223252730H16H2
MFCD00502733
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2C1CC(=C1C2C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O))c1ccccc1
ZINC000217387892
ZINC000239433638

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Available files

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