Vitas-M small molecule compound
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methyl-3-nitrophenyl)methanone
Catalog ID
STK448032
SMILES Cc1cc(n(n1)C(=O)c1ccc(c(c1)[N+](=O)[O-])C)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 C13H13N3O3 MW 259.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3/c1-8-4-5-11(7-12(8)16(18)19)13(17)15-10(3)6-9(2)14-15/h4-7H,1-3H3InChIKey
PBDJJWHQHOUERV-UHFFFAOYSA-NSynonyms
(35dimethyl1Hpyrazol1yl)(4methyl3nitrophenyl)methanone
(35DIMETHYLPYRAZOL1YL)(4METHYL3NITROPHENYL)METHANONE
35DIMETHYLPYRAZOLYL4METHYL3NITROPHENYLKETONE
CC1=C(C=C(C=C1)C(=O)N2C(=CC(=N2)C)C)(N+)(=O)(O)
Cc1cc(n(n1)C(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
InChI=1SC13H13N3O3c184511(712(8)16(18)19)13(17)1510(3)69(2)1415h47H13H3
MFCD03361946
ZINC000000475458
ZINC00475458
ZINC475458
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