Vitas-M small molecule compound
ethyl 2-[4-(ethoxycarbonyl)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441858
SMILES CCOC(=O)c1csc(n1)N1NC(C(=C1c1ccccc1)C(=O)OCC)(O)C(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 C19H18F3N3O5S MW 457.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O5S/c1-3-29-15(26)12-10-31-17(23-12)25-14(11-8-6-5-7-9-11)13(16(27)30-4-2)18(28,24-25)19(20,21)22/h5-10,24,28H,3-4H2,1-2H3InChIKey
UXSHYIRYPZNRGP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(=C(C(N2)(C(F)(F)F)O)C(=O)OCC)C3=CC=CC=C3
ethyl2(4(ethoxycarbonyl)3hydroxy5phenyl3(trifluoromethyl)23dihydro1Hpyrazol1yl)13thiazole4carboxylate
ethyl2(4ethoxycarbonyl5hydroxy3phenyl5(trifluoromethyl)1Hpyrazol2yl)13thiazole4carboxylate
InChI=1SC19H18F3N3O5Sc132915(26)12103117(2312)2514(118657911)13(16(27)3042)18(282425)19(2021)22h5102428H34H212H3
MFCD09992549
ZINC000033435795
ZINC000033435796
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