Vitas-M small molecule compound
3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Catalog ID
STK346644
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1cccc(c1)C(=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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-8-5-11(15(18)19)13-14(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)InChIKey
IDBOQHVHOATSKD-UHFFFAOYSA-NSynonyms
491831-82-4(O)(N+)(=O)c1nn(c(c1)C)Cc1cccc(c1)C(=O)O
3((3NITRO5METHYL1HPYRAZOL1YL)METHYL)BENZOICACID
3((5METHYL3NITRO1HPYRAZOL1YL)METHYL)BENZOICACID
3((5METHYL3NITROPYRAZOL1YL)METHYL)BENZOICACID
3((5METHYL3NITROPYRAZOLYL)METHYL)BENZOICACID
3(5METHYL3NITROPYRAZOL1YLMETHYL)BENZOICACID
491831824
CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC12H11N3O4c18511(15(18)19)1314(8)7932410(69)12(16)17h26H7H21H3(H1617)
MFCD00849832
ZINC000000368975
ZINC368975
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