Vitas-M small molecule compound

methyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate

Catalog ID
STK777988
SMILES COC(=O)c1ccc(cc1)Oc1nc(nn1C)[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 C11H10N4O5 MW 278.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N4O5/c1-14-11(12-10(13-14)15(17)18)20-8-5-3-7(4-6-8)9(16)19-2/h3-6H,1-2H3
InChIKey
PWEABZNIAACHQB-UHFFFAOYSA-N
Synonyms

CN1C(=NC(=N1)(N+)(=O)(O))OC2=CC=C(C=C2)C(=O)OC
COC(=O)c1ccc(cc1)Oc1nc(nn1C)(N+)(=O)(O)
InChI=1SC11H10N4O5c11411(1210(1314)15(17)18)208537(468)9(16)192h36H12H3
methyl4((1methyl3nitro1H124triazol5yl)oxy)benzoate
METHYL4((2METHYL5NITRO124TRIAZOL3YL)OXY)BENZOATE
METHYL4(1METHYL3NITRO124TRIAZOL5YLOXY)BENZOATE
MFCD05855588
ZINC000000528926
ZINC00528926
ZINC528926

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Available files

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