Vitas-M small molecule compound
2-{(E)-2-[1-(4-phenyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]ethenyl}phenyl acetate
Catalog ID
STL440000
SMILES CC(=O)Oc1ccccc1/C=C/c1nn(c(c1)C(F)(F)F)c1scc(n1)c1ccccc1
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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 C23H16F3N3O2S MW 455.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N3O2S/c1-15(30)31-20-10-6-5-9-17(20)11-12-18-13-21(23(24,25)26)29(28-18)22-27-19(14-32-22)16-7-3-2-4-8-16/h2-14H,1H3/b12-11+InChIKey
WHYYUHCMEZTQJE-VAWYXSNFSA-NSynonyms
(2((E)2(1(4PHENYL13THIAZOL2YL)5(TRIFLUOROMETHYL)PYRAZOL3YL)ETHENYL)PHENYL)ACETATE
2((E)2(1(4phenyl13thiazol2yl)5(trifluoromethyl)1Hpyrazol3yl)ethenyl)phenylacetate
CC(=O)OC1=CC=CC=C1C=CC2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C4=CC=CC=C4
CC(=O)Oc1ccccc1C=Cc1nn(c(c1)C(F)(F)F)c1scc(n1)c1ccccc1
InChI=1SC23H16F3N3O2Sc115(30)31201065917(20)1112181321(23(2425)26)29(2818)222719(143222)167324816h214H1H3b1211+
MFCD07773401
ZINC000008754072
ZINC8754072
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