Vitas-M small molecule compound
ethyl 4-[3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazol-1-yl]benzoate
Catalog ID
STK376728
SMILES CCOC(=O)c1ccc(cc1)n1nc(c(c1C)c1cccc(c1)[N+](=O)[O-])C
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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 C20H19N3O4 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4/c1-4-27-20(24)15-8-10-17(11-9-15)22-14(3)19(13(2)21-22)16-6-5-7-18(12-16)23(25)26/h5-12H,4H2,1-3H3InChIKey
HULQBWKGXLNXBA-UHFFFAOYSA-NSynonyms
4(35DIMETHYL4(3NITROPHENYL)PYRAZOL1YL)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)C3=CC(=CC=C3)(N+)(=O)(O))C
CCOC(=O)c1ccc(cc1)n1nc(c(c1C)c1cccc(c1)(N+)(=O)(O))C
ethyl4(35dimethyl4(3nitrophenyl)1Hpyrazol1yl)benzoate
ETHYL4(35DIMETHYL4(3NITROPHENYL)PYRAZOL1YL)BENZOATE
ETHYL4(35DIMETHYL4(3NITROPHENYL)PYRAZOLYL)BENZOATE
InChI=1SC20H19N3O4c142720(24)1581017(11915)2214(3)19(13(2)2122)1665718(1216)23(25)26h512H4H213H3
MFCD01363728
ZINC000000841395
ZINC00841395
ZINC841395
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