Vitas-M small molecule compound

6-(3-nitrophenyl)-1,2,4,5-tetrazine-3(6H)-thione

Catalog ID
STL266904
SMILES S=C1N=NC(N=N1)c1cccc(c1)[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 C8H5N5O2S MW 235.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5N5O2S/c14-13(15)6-3-1-2-5(4-6)7-9-11-8(16)12-10-7/h1-4,7H
InChIKey
WGZPJSCHZZJNPH-UHFFFAOYSA-N
Synonyms

3(3nitrophenyl)3H1245tetrazine6thione
6(3nitrophenyl)1245tetrazine3(6H)thione
C1=CC(=CC(=C1)(N+)(=O)(O))C2N=NC(=S)N=N2
InChI=1SC8H5N5O2Sc1413(15)63125(46)79118(16)12107h147H
MFCD24853138
S=C1N=NC(N=N1)c1cccc(c1)(N+)(=O)(O)
ZINC000027027793
ZINC27027793

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.