Vitas-M small molecule compound
methyl {(4Z)-4-[1-(benzylamino)ethylidene]-5-oxo-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STK262386
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCc1ccccc1)/C)c1ccc(cc1)OC(F)(F)F
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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 C22H20F3N3O4 MW 447.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O4/c1-14(26-13-15-6-4-3-5-7-15)20-18(12-19(29)31-2)27-28(21(20)30)16-8-10-17(11-9-16)32-22(23,24)25/h3-11,26H,12-13H2,1-2H3/b20-14-InChIKey
QZAOCPNJIIUKJI-ZHZULCJRSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)CC(=O)OC)NCC3=CC=CC=C3
COC(=O)CC1=NN(C(=O)C1=C(NCc1ccccc1)C)c1ccc(cc1)OC(F)(F)F
InChI=1SC22H20F3N3O4c114(2613156435715)2018(1219(29)312)2728(21(20)30)1681017(11916)3222(2324)25h31126H1213H212H3b2014
methyl((4Z)4(1(benzylamino)ethylidene)5oxo1(4(trifluoromethoxy)phenyl)45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)4(1(benzylamino)ethylidene)5oxo1(4(trifluoromethoxy)phenyl)pyrazol3yl)acetate
METHYL2(5OXO4((BENZYLAMINO)ETHYLIDENE)1(4(TRIFLUOROMETHOXY)PHENYL)12DIAZOLIN3YL)ACETATE
MFCD08547691
ZINC000100431622
ZINC09356358
ZINC100431622
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