Vitas-M small molecule compound

ethyl {[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]sulfonyl}acetate

Catalog ID
STK351192
SMILES CCOC(=O)CS(=O)(=O)Cn1nc(cc1C)[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 C9H13N3O6S MW 291.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13N3O6S/c1-3-18-9(13)5-19(16,17)6-11-7(2)4-8(10-11)12(14)15/h4H,3,5-6H2,1-2H3
InChIKey
SVPSFEDUXFWYHW-UHFFFAOYSA-N
Synonyms
1006951-90-1
1006951901
CCOC(=O)CS(=O)(=O)CN1C(=CC(=N1)(N+)(=O)(O))C
CCOC(=O)CS(=O)(=O)Cn1nc(cc1C)(N+)(=O)(O)
ethyl(((5methyl3nitro1Hpyrazol1yl)methyl)sulfonyl)acetate
ETHYL2(((5METHYL3NITROPYRAZOLYL)METHYL)SULFONYL)ACETATE
ethyl2((5methyl3nitropyrazol1yl)methylsulfonyl)acetate
InChI=1SC9H13N3O6Sc13189(13)519(1617)6117(2)48(1011)12(14)15h4H356H212H3
MFCD08556284
ZINC000012395005
ZINC12395005

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Available files

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