Vitas-M small molecule compound

1-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazol-2-yl)propan-2-one

Catalog ID
STK343642
SMILES CC(=O)Cn1nc(nc1c1[nH]nc(n1)[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 C7H6N8O5 MW 282.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H6N8O5/c1-3(16)2-13-5(9-7(12-13)15(19)20)4-8-6(11-10-4)14(17)18/h2H2,1H3,(H,8,10,11)
InChIKey
QFZOCTNNOJENTP-UHFFFAOYSA-N
Synonyms
215532-91-5
1(3NITRO5(3NITRO(1H124TRIAZOL5YL))124TRIAZOLYL)ACETONE
1(3NITRO5(3NITRO1H124TRIAZOL5YL)124TRIAZOL1YL)PROPAN2ONE
1(55DINITRO2H(33)BI((124)TRIAZOLYL)2YL)PROPAN2ONE
1(55dinitro2H2H(33bi(124triazol))2yl)propan2one
1(55dinitro2H2H33bi124triazol2yl)propan2one
215532915
CC(=O)CN1C(=NC(=N1)(N+)(=O)(O))C2=NC(=NN2)(N+)(=O)(O)
CC(=O)Cn1nc(nc1c1(nH)nc(n1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC7H6N8O5c13(16)2135(97(1213)15(19)20)486(11104)14(17)18h2H21H3(H81011)
MFCD01445062
ZINC000002262486
ZINC2262486

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Available files

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