Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3,4-dimethoxyphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482205
SMILES COc1cc(ccc1OC)N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C
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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 C21H17F3N4O3S MW 462.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O3S/c1-11(25-12-8-9-14(30-2)15(10-12)31-3)17-18(21(22,23)24)27-28(19(17)29)20-26-13-6-4-5-7-16(13)32-20/h4-10,25H,1-3H3/b17-11+InChIKey
GVYMLRSTYIYYSB-GZTJUZNOSA-NSynonyms
337339-96-5(4E)2(13benzothiazol2yl)4(1((34dimethoxyphenyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(34DIMETHOXYANILINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((34dimethoxyphenyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
337339965
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
InChI=1SC21H17F3N4O3Sc111(25128914(302)15(1012)313)1718(21(2223)24)2728(19(17)29)202613645716(13)3220h41025H13H3b1711+
MFCD01466197
ZINC000100309725
ZINC100309725
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