Vitas-M small molecule compound
methyl (2E)-{2-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}ethanoate
Catalog ID
STL437689
SMILES COC(=O)/C=C\1/SC(=NC1=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br
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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 C16H11BrF3N3O4S MW 478.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrF3N3O4S/c1-27-12(24)6-11-13(25)21-14(28-11)23-15(26,16(18,19)20)7-10(22-23)8-2-4-9(17)5-3-8/h2-6,26H,7H2,1H3/b11-6+InChIKey
WSMMLCYJKDBJJC-IZZDOVSWSA-NSynonyms
COC(=O)C=C1C(=O)N=C(S1)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O
COC(=O)C=C1SC(=NC1=O)N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)Br
InChI=1SC16H11BrF3N3O4Sc12712(24)61113(25)2114(2811)2315(2616(1819)20)710(2223)8249(17)538h2626H7H21H3b116+
methyl(2E)(2(3(4bromophenyl)5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)4oxo13thiazol5(4H)ylidene)ethanoate
methyl(2E)2(2(3(4bromophenyl)5hydroxy5(trifluoromethyl)4Hpyrazol1yl)4oxo13thiazol5ylidene)acetate
MFCD06241768
ZINC000001415539
ZINC000001415541
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