Vitas-M small molecule compound

7-[(E)-(3-nitrophenyl)(propan-2-ylidenehydrazinylidene)methyl]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane

Catalog ID
STK526646
SMILES CC(=N/N=C(/C12CN3CN(C2)CN(C1)C3)\c1cccc(c1)[N+](=O)[O-])C

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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 C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c1-13(2)18-19-16(14-4-3-5-15(6-14)23(24)25)17-7-20-10-21(8-17)12-22(9-17)11-20/h3-6H,7-12H2,1-2H3/b19-16+
InChIKey
NIKTVJBEPBFYRV-KNTRCKAVSA-N
Synonyms
331465-20-4
(1s3s5s)7((E)(3nitrophenyl)(propan2ylidenehydrazono)methyl)135triazaadamantane
331465204
7((E)(3nitrophenyl)(propan2ylidenehydrazinylidene)methyl)135triazatricyclo(3311~37~)decane
CC(=NN=C(C1=CC(=CC=C1)(N+)(=O)(O))C23CN4CN(C2)CN(C3)C4)C
CC(=NN=C(C12CN3CN(C2)CN(C1)C3)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC17H22N6O2c113(2)181916(1443515(614)23(24)25)177201021(817)1222(917)1120h36H712H212H3b1916+
MFCD01456370
ZINC000096544386
ZINC19313001

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Available files

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