Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(thiophen-2-ylmethyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK020248
SMILES O=C1N(N=C(/C/1=C\NCc1cccs1)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 C17H11F3N4OS2 MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11F3N4OS2/c18-17(19,20)14-11(9-21-8-10-4-3-7-26-10)15(25)24(23-14)16-22-12-5-1-2-6-13(12)27-16/h1-7,9,21H,8H2/b11-9+InChIKey
OFXMXAPLMYBVNU-PKNBQFBNSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(((THIOPHEN2YLMETHYL)AMINO)METHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4((THIOPHEN2YLMETHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((thiophen2ylmethyl)amino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((2THIENYLMETHYL)AMINO)METHYLENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CC=CS4)C(=N3)C(F)(F)F
InChI=1SC17H11F3N4OS2c1817(1920)1411(9218104372610)15(25)24(2314)162212512613(12)2716h17921H8H2b119+
MFCD01210649
O=C1N(N=C(C1=CNCc1cccs1)C(F)(F)F)c1nc2c(s1)cccc2
STK020248
ZINC000100408670
ZINC100408670
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