Vitas-M small molecule compound

methyl {[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfonyl}acetate

Catalog ID
STL396736
SMILES COC(=O)CS(=O)(=O)Cn1nc(c(c1C)[N+](=O)[O-])C

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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/c1-6-9(12(14)15)7(2)11(10-6)5-19(16,17)4-8(13)18-3/h4-5H2,1-3H3
InChIKey
SFJGIFWVISKYGM-UHFFFAOYSA-N
Synonyms
1005671-88-4
1005671884
CC1=C(C(=NN1CS(=O)(=O)CC(=O)OC)C)(N+)(=O)(O)
COC(=O)CS(=O)(=O)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC9H13N3O6Sc169(12(14)15)7(2)11(106)519(1617)48(13)183h45H213H3
METHYL(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFONYL)ACETATE
methyl2((35dimethyl4nitropyrazol1yl)methylsulfonyl)acetate
MFCD06197282
ZINC000017022573
ZINC17022573

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Available files

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