Vitas-M small molecule compound
ethyl (4-{3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl}-3-hydroxy-1H-pyrazol-5-yl)acetate
Catalog ID
STL424830
SMILES CCOC(=O)Cc1[nH]nc(c1C(c1ccc(cc1)C(F)(F)F)CC(=O)N)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 C17H18F3N3O4 MW 385.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F3N3O4/c1-2-27-14(25)8-12-15(16(26)23-22-12)11(7-13(21)24)9-3-5-10(6-4-9)17(18,19)20/h3-6,11H,2,7-8H2,1H3,(H2,21,24)(H2,22,23,26)InChIKey
ZBOFBUVEEJIBHQ-UHFFFAOYSA-NSynonyms
1630905-55-31630905553
CCOC(=O)Cc1(nH)nc(c1C(c1ccc(cc1)C(F)(F)F)CC(=O)N)O
CCOC(=O)CC1=C(C(=O)NN1)C(CC(=O)N)C2=CC=C(C=C2)C(F)(F)F
ethyl(4(3amino3oxo1(4(trifluoromethyl)phenyl)propyl)3hydroxy1Hpyrazol5yl)acetate
ethyl2(4(3amino3oxo1(4(trifluoromethyl)phenyl)propyl)5oxo12dihydropyrazol3yl)acetate
InChI=1SC17H18F3N3O4c122714(25)81215(16(26)232212)11(713(21)24)93510(649)17(1819)20h3611H278H21H3(H22124)(H2222326)
MFCD30709595
ZINC000218389364
ZINC000218389444
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