Vitas-M small molecule compound

[3-(difluoromethyl)-5-methyl-4-nitro-1H-pyrazol-1-yl]acetic acid

Catalog ID
STK301308
SMILES OC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C(F)F

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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 C7H7F2N3O4 MW 235.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H7F2N3O4/c1-3-6(12(15)16)5(7(8)9)10-11(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)
InChIKey
DDUHAPRAGZZKCT-UHFFFAOYSA-N
Synonyms
925607-46-1
(3(difluoromethyl)5methyl4nitro1Hpyrazol1yl)aceticacid
(3(DIFLUOROMETHYL)5METHYL4NITROPYRAZOL1YL)ACETICACID
(3DIFLUOROMETHYL5METHYL4NITROPYRAZOL1YL)A
(3DIFLUOROMETHYL5METHYL4NITROPYRAZOL1YL)ACETICACID
2(3(DIFLUOROMETHYL)5METHYL4NITROPYRAZOL1YL)ACETICACID
2(3(DIFLUOROMETHYL)5METHYL4NITROPYRAZOLYL)ACETICACID
925607461
CC1=C(C(=NN1CC(=O)O)C(F)F)(N+)(=O)(O)
InChI=1SC7H7F2N3O4c136(12(15)16)5(7(8)9)1011(3)24(13)14h7H2H21H3(H1314)
MFCD04969938
OC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C(F)F
ZINC000001304699
ZINC1304699

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Available files

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