Vitas-M small molecule compound
4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK376731
SMILES Cc1nn(c(c1c1cccc(c1)[N+](=O)[O-])C)c1ccc(cc1)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 C18H15N3O4 MW 337.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4/c1-11-17(14-4-3-5-16(10-14)21(24)25)12(2)20(19-11)15-8-6-13(7-9-15)18(22)23/h3-10H,1-2H3,(H,22,23)InChIKey
CQCKHKLAXMJOFN-UHFFFAOYSA-NSynonyms
4(35dimethyl4(3nitrophenyl)1Hpyrazol1yl)benzoicacid
4(35DIMETHYL4(3NITROPHENYL)PYRAZOL1YL)BENZOICACID
4(35DIMETHYL4(3NITROPHENYL)PYRAZOLYL)BENZOICACID
CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1nn(c(c1c1cccc(c1)(N+)(=O)(O))C)c1ccc(cc1)C(=O)O
InChI=1SC18H15N3O4c11117(1443516(1014)21(24)25)12(2)20(1911)158613(7915)18(22)23h310H12H3(H2223)
MFCD01363731
ZINC000000239312
ZINC239312
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