Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(butan-2-ylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK055605
SMILES CCC(N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)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 C17H17F3N4OS MW 382.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4OS/c1-4-9(2)21-10(3)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-9,21H,4H2,1-3H3/b13-10+
InChIKey
LMDXQDDBBRAMFE-JLHYYAGUSA-N
Synonyms
353772-33-5
(4E)2(13BENZOTHIAZOL2YL)4(1(BUTAN2YLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(butan2ylamino)ethylidene)5(trifluoromethyl)pyrazol3one
(E)1(benzo(d)thiazol2yl)4(1(secbutylamino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((METHYLPROPYL)AMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
2(13BENZOTHIAZOL2YL)4(N(SECBUTYL)ETHANIMIDOYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
353772335
CCC(C)NC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)C
CCC(NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C)C
InChI=1SC17H17F3N4OSc149(2)2110(3)1314(17(1819)20)2324(15(13)25)162211756812(11)2616h5921H4H213H3b1310+
MFCD01810994
STK055605
ZINC000018084637
ZINC000018146134

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.