Vitas-M small molecule compound
2-[(E)-2-{1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazol-3-yl}ethenyl]phenyl acetate
Catalog ID
STL439999
SMILES CC(=O)Oc1ccccc1/C=C/c1nn(c(c1)C(F)(F)F)c1scc(n1)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 C23H15BrF3N3O2S MW 534.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15BrF3N3O2S/c1-14(31)32-20-5-3-2-4-16(20)8-11-18-12-21(23(25,26)27)30(29-18)22-28-19(13-33-22)15-6-9-17(24)10-7-15/h2-13H,1H3/b11-8+InChIKey
WNLKACPMDUUPLV-DHZHZOJOSA-NSynonyms
(2((E)2(1(4(4BROMOPHENYL)13THIAZOL2YL)5(TRIFLUOROMETHYL)PYRAZOL3YL)ETHENYL)PHENYL)ACETATE
2((E)2(1(4(4bromophenyl)13thiazol2yl)5(trifluoromethyl)1Hpyrazol3yl)ethenyl)phenylacetate
CC(=O)OC1=CC=CC=C1C=CC2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C4=CC=C(C=C4)Br
CC(=O)Oc1ccccc1C=Cc1nn(c(c1)C(F)(F)F)c1scc(n1)c1ccc(cc1)Br
InChI=1SC23H15BrF3N3O2Sc114(31)3220532416(20)811181221(23(2526)27)30(2918)222819(133322)156917(24)10715h213H1H3b118+
MFCD06241993
ZINC000008754067
ZINC8754067
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