Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL357447
SMILES O=C1N(N=C(/C/1=C(\N1CCOCC1)/C)C(F)(F)F)c1nc2c(s1)cccc2
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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 C17H15F3N4O2S MW 396.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N4O2S/c1-10(23-6-8-26-9-7-23)13-14(17(18,19)20)22-24(15(13)25)16-21-11-4-2-3-5-12(11)27-16/h2-5H,6-9H2,1H3/b13-10+InChIKey
YOBZFSVALSTNRH-JLHYYAGUSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1(morpholin4yl)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1MORPHOLIN4YLETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCOCC4
InChI=1SC17H15F3N4O2Sc110(2368269723)1314(17(1819)20)2224(15(13)25)162111423512(11)2716h25H69H21H3b1310+
MFCD01810973
O=C1N(N=C(C1=C(N1CCOCC1)C)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000000994200
ZINC00994200
ZINC994200
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