Vitas-M small molecule compound

ethyl 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-carboxylate

Catalog ID
STK762708
SMILES CCOC(=O)C1=NN(c2ccccc2)C(NN1C)c1ccc(cc1)[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 C18H19N5O4 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O4/c1-3-27-18(24)17-20-22(14-7-5-4-6-8-14)16(19-21(17)2)13-9-11-15(12-10-13)23(25)26/h4-12,16,19H,3H2,1-2H3
InChIKey
IOZSCUXXDYKOTK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C(NN1C)C2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3
CCOC(=O)C1=NN(c2ccccc2)C(NN1C)c1ccc(cc1)(N+)(=O)(O)
ethyl2methyl6(4nitrophenyl)5phenyl1256tetrahydro1245tetrazine3carboxylate
ethyl2methyl6(4nitrophenyl)5phenyl16dihydro1245tetrazine3carboxylate
InChI=1SC18H19N5O4c132718(24)172022(147546814)16(1921(17)2)1391115(121013)23(25)26h4121619H3H212H3
MFCD01895944
ZINC000001437213
ZINC000001437214

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Available files

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