Vitas-M small molecule compound

1-(4-chlorobenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Catalog ID
STL300905
SMILES Clc1ccc(cc1)Cn1nc(cc1C(=O)O)[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 C11H8ClN3O4 MW 281.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8ClN3O4/c12-8-3-1-7(2-4-8)6-14-9(11(16)17)5-10(13-14)15(18)19/h1-5H,6H2,(H,16,17)
InChIKey
WIEZIWHINZZOEH-UHFFFAOYSA-N
Synonyms
402614-96-4
1(4chlorobenzyl)3nitro1Hpyrazole5carboxylicacid
2((4CHLOROPHENYL)METHYL)5NITROPYRAZOLE3CARBOXYLICACID
402614964
C1=CC(=CC=C1CN2C(=CC(=N2)(N+)(=O)(O))C(=O)O)Cl
Clc1ccc(cc1)Cn1nc(cc1C(=O)O)(N+)(=O)(O)
InChI=1SC11H8ClN3O4c128317(248)6149(11(16)17)510(1314)15(18)19h15H6H2(H1617)
MFCD01114883
ZINC000000368954
ZINC368954

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Available files

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