Vitas-M small molecule compound
5,6,7,8,10,10-hexachloro-2-(4-nitrophenyl)-3a,4,4a,5,8,8a,9,9a-octahydro-1H-5,8-methanobenzo[f]isoindole-1,3(2H)-dione
Catalog ID
STL315748
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1CC1C(C2)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
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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 C19H12Cl6N2O4 MW 545.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12Cl6N2O4/c20-13-14(21)18(23)12-6-10-9(5-11(12)17(13,22)19(18,24)25)15(28)26(16(10)29)7-1-3-8(4-2-7)27(30)31/h1-4,9-12H,5-6H2InChIKey
FOKXNSDHYMSFQJ-UHFFFAOYSA-NSynonyms
(3aR4aR5R8S8aS9aS)56781010hexachloro2(4nitrophenyl)3a44a588a99aoctahydro1H58methanobenzo(f)isoindole13(2H)dione
56781010hexachloro2(4nitrophenyl)3a44a588a99aoctahydro1H58methanobenzo(f)isoindole13(2H)dione
C1C2C(CC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)N(C2=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC19H12Cl6N2O4c201314(21)18(23)126109(511(12)17(1322)19(1824)25)15(28)26(16(10)29)7138(427)27(30)31h14912H56H2
MFCD28027436
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1CC1(C@@H)(C2)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1CC1C(C2)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
ZINC000100704656
ZINC000245239845
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.