Vitas-M small molecule compound
methyl (2E)-{2-[5-hydroxy-3-(naphthalen-1-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}ethanoate
Catalog ID
STL437690
SMILES COC(=O)/C=C\1/SC(=NC1=O)N1N=C(CC1(O)C(F)(F)F)c1cccc2c1cccc2
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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 C20H14F3N3O4S MW 449.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14F3N3O4S/c1-30-16(27)9-15-17(28)24-18(31-15)26-19(29,20(21,22)23)10-14(25-26)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,29H,10H2,1H3/b15-9+InChIKey
CBXWMEJWFMNIMI-OQLLNIDSSA-NSynonyms
COC(=O)C=C1C(=O)N=C(S1)N2C(CC(=N2)C3=CC=CC4=CC=CC=C43)(C(F)(F)F)O
COC(=O)C=C1SC(=NC1=O)N1N=C(CC1(O)C(F)(F)F)c1cccc2c1cccc2
InChI=1SC20H14F3N3O4Sc13016(27)91517(28)2418(3115)2619(2920(2122)23)1014(2526)1384611523712(11)13h2929H10H21H3b159+
methyl(2E)(2(5hydroxy3(naphthalen1yl)5(trifluoromethyl)45dihydro1Hpyrazol1yl)4oxo13thiazol5(4H)ylidene)ethanoate
methyl(2E)2(2(5hydroxy3naphthalen1yl5(trifluoromethyl)4Hpyrazol1yl)4oxo13thiazol5ylidene)acetate
MFCD06241771
ZINC000001415554
ZINC000033429050
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