Vitas-M small molecule compound

N,N'-(1R,2S)-cyclohexane-1,2-diylbis{N-[(Z)-(5-nitrofuran-2-yl)methylidene]amine oxide}

Catalog ID
STK534772
SMILES [O-]/[N+](=C\c1ccc(o1)[N+](=O)[O-])/[C@@H]1CCCC[C@@H]1/[N+](=C/c1ccc(o1)[N+](=O)[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 C16H16N4O8 MW 392.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O8/c21-17(9-11-5-7-15(27-11)19(23)24)13-3-1-2-4-14(13)18(22)10-12-6-8-16(28-12)20(25)26/h5-10,13-14H,1-4H2/b17-9-,18-10-/t13-,14+
InChIKey
OJDFVZQCZCZWQF-ANISEGJQSA-N
Synonyms

(1R2SN1ZN2Z)N1N2bis((5nitrofuran2yl)methylene)cyclohexane12diaminedioxide
(O)(N+)(=Cc1ccc(o1)(N+)(=O)(O))(C@@H)1CCCC(C@@H)1(N+)(=Cc1ccc(o1)(N+)(=O)(O))(O)
1(5NITRO2FURANYL)N((1R2S)2((Z)(5NITRO2FURANYL)METHYLIDENEOXIDOAMMONIO)CYCLOHEXYL)METHANIMINEOXIDE
1(5NITRO2FURYL)N((1R2S)2((Z)(5NITRO2FURYL)METHYLENEOXIDOAMMONIO)CYCLOHEXYL)METHANIMINEOXIDE
1(5NITROFURAN2YL)N((1R2S)2((Z)(5NITROFURAN2YL)METHYLIDENEOXIDANIDYLAZANIUMYL)CYCLOHEXYL)METHANIMINEOXIDE
1(5NITROFURAN2YL)N((1R2S)2((Z)(5NITROFURAN2YL)METHYLIDENEOXIDOAZANIUMYL)CYCLOHEXYL)METHANIMINEOXIDE
C1CCC(C(C1)(N+)(=CC2=CC=C(O2)(N+)(=O)(O))(O))(N+)(=CC3=CC=C(O3)(N+)(=O)(O))(O)
InChI=1SC16H16N4O8c2117(9115715(2711)19(23)24)13312414(13)18(22)10126816(2812)20(25)26h5101314H14H2b1791810t1314+
MFCD01853024
NN(1R2S)cyclohexane12diylbis(N((Z)(5nitrofuran2yl)methylidene)amineoxide)
ZINC000016034468
ZINC16034468
ZINC16034470

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Available files

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