Vitas-M small molecule compound

[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]acetic acid

Catalog ID
STL259710
SMILES OC(=O)Cc1c(C)nn(c1C)c1ccc(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/c1-8-12(7-13(17)18)9(2)15(14-8)10-3-5-11(6-4-10)16(19)20/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey
FXZYBVGJIYOYLB-UHFFFAOYSA-N
Synonyms
1134773-03-7
(35dimethyl1(4nitrophenyl)1Hpyrazol4yl)aceticacid
1134773037
2(35dimethyl1(4nitrophenyl)pyrazol4yl)aceticacid
CC1=C(C(=NN1C2=CC=C(C=C2)(N+)(=O)(O))C)CC(=O)O
InChI=1SC13H13N3O4c1812(713(17)18)9(2)15(148)103511(6410)16(19)20h36H7H212H3(H1718)
MFCD09937611
OC(=O)Cc1c(C)nn(c1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000019475966
ZINC19475966

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Available files

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