Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(heptylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK043030
SMILES CCCCCCCN/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 C20H23F3N4OS MW 424.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23F3N4OS/c1-3-4-5-6-9-12-24-13(2)16-17(20(21,22)23)26-27(18(16)28)19-25-14-10-7-8-11-15(14)29-19/h7-8,10-11,24H,3-6,9,12H2,1-2H3/b16-13+InChIKey
AFANIPMFKLJSKR-DTQAZKPQSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1(HEPTYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(heptylamino)ethylidene)5(trifluoromethyl)pyrazol3one
(E)1(benzo(d)thiazol2yl)4(1(heptylamino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4((HEPTYLAMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CCCCCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)C
CCCCCCCNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
InChI=1SC20H23F3N4OSc134569122413(2)1617(20(2122)23)2627(18(16)28)19251410781115(14)2919h78101124H36912H212H3b1613+
MFCD01210558
STK043030
ZINC000100701319
ZINC100701319
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