Vitas-M small molecule compound

3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methylpropanoic acid

Catalog ID
STK313014
SMILES OC(=O)C(Cn1nc(c(c1C)[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 C9H13N3O4 MW 227.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13N3O4/c1-5(9(13)14)4-11-7(3)8(12(15)16)6(2)10-11/h5H,4H2,1-3H3,(H,13,14)
InChIKey
DFANDWKEUBXWKL-UHFFFAOYSA-N
Synonyms
1005640-74-3
1005640743
3(35dimethyl4nitro1Hpyrazol1yl)2methylpropanoicacid
3(35dimethyl4nitropyrazol1yl)2methylpropanoicacid
3(35DIMETHYL4NITROPYRAZOL1YL)2METHYLPROPIONICACID
3(35DIMETHYL4NITROPYRAZOLYL)2METHYLPROPANOICACID
CC1=C(C(=NN1CC(C)C(=O)O)C)(N+)(=O)(O)
InChI=1SC9H13N3O4c15(9(13)14)4117(3)8(12(15)16)6(2)1011h5H4H213H3(H1314)
MFCD04967183
OC(=O)C(Cn1nc(c(c1C)(N+)(=O)(O))C)C
ZINC000002534232
ZINC000002732061

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Available files

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