Vitas-M small molecule compound
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
Catalog ID
STK070202
SMILES Cc1nn(c(c1)C)C(=O)COc1ccc(cc1)[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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-9-7-10(2)15(14-9)13(17)8-20-12-5-3-11(4-6-12)16(18)19/h3-7H,8H2,1-2H3InChIKey
HMENEHMKHRRLDH-UHFFFAOYSA-NSynonyms
13312-40-81((4NITROPHENOXY)ACETYL)35DIMETHYL1HPYRAZOLE
1(35DIMETHYL1HPYRAZOL1YL)2(4NITROPHENOXY)ETHANONE
1(35DIMETHYLPYRAZOL1YL)2(4NITROPHENOXY)ETHANONE
1(35DIMETHYLPYRAZOLYL)2(4NITROPHENOXY)ETHAN1ONE
13312408
CC1=CC(=NN1C(=O)COC2=CC=C(C=C2)(N+)(=O)(O))C
Cc1nn(c(c1)C)C(=O)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H13N3O4c19710(2)15(149)13(17)820125311(4612)16(18)19h37H8H212H3
MFCD02824839
STK070202
ZINC000000038426
ZINC00038426
ZINC38426
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