Vitas-M small molecule compound

4,4,7,7-tetranitro-2-phenyl-4,5,6,7-tetrahydro-2H-benzotriazole

Catalog ID
STK535198
SMILES [O-][N+](=O)C1(CCC(c2c1nn(n2)c1ccccc1)([N+](=O)[O-])[N+](=O)[O-])[N+](=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 C12H9N7O8 MW 379.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N7O8/c20-16(21)11(17(22)23)6-7-12(18(24)25,19(26)27)10-9(11)13-15(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
KGCOFTBOJHNAME-UHFFFAOYSA-N
Synonyms
330982-33-7
(O)(N+)(=O)C1(CCC(c2c1nn(n2)c1ccccc1)((N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
330982337
4477tetranitro2phenyl4567tetrahydro2Hbenzo(d)(123)triazole
4477tetranitro2phenyl4567tetrahydro2Hbenzotriazole
4477tetranitro2phenyl56dihydrobenzotriazole
C1CC(C2=NN(N=C2C1((N+)(=O)(O))(N+)(=O)(O))C3=CC=CC=C3)((N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H9N7O8c2016(21)11(17(22)23)6712(18(24)2519(26)27)109(11)1315(1410)8421358h15H67H2
MFCD00168394
ZINC000073351238
ZINC73351238

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Available files

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