Vitas-M small molecule compound

ethyl [5-(dinitromethyl)-4H-1,2,4-triazol-3-yl]acetate

Catalog ID
STK674276
SMILES CCOC(=O)Cc1nnc([nH]1)C([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 C7H9N5O6 MW 259.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N5O6/c1-2-18-5(13)3-4-8-6(10-9-4)7(11(14)15)12(16)17/h7H,2-3H2,1H3,(H,8,9,10)
InChIKey
JFJAXUMGQKNLIA-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC1=NC(=NN1)C((N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)Cc1nnc((nH)1)C((N+)(=O)(O))(N+)(=O)(O)
ethyl(5(dinitromethyl)4H124triazol3yl)acetate
ETHYL2(3(DINITROMETHYL)1H124TRIAZOL5YL)ACETATE
InChI=1SC7H9N5O6c12185(13)3486(1094)7(11(14)15)12(16)17h7H23H21H3(H8910)
MFCD01305246
ZINC000101286414
ZINC101286414

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Available files

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