Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK053333
SMILES OCCCN/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 C16H15F3N4O2S MW 384.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O2S/c1-9(20-7-4-8-24)12-13(16(17,18)19)22-23(14(12)25)15-21-10-5-2-3-6-11(10)26-15/h2-3,5-6,20,24H,4,7-8H2,1H3/b12-9+
InChIKey
AFJQWQDLSNHVRK-FMIVXFBMSA-N
Synonyms

(4E)1(13BENZOTHIAZOL2YL)4(1((3HYDROXYPROPYL)AMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5ONE
(4E)2(13BENZOTHIAZOL2YL)4(1((3HYDROXYPROPYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(3HYDROXYPROPYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((3hydroxypropyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCCO
InChI=1SC16H15F3N4O2Sc19(2074824)1213(16(1718)19)2223(14(12)25)152110523611(10)2615h23562024H478H21H3b129+
MFCD01811038
OCCCNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
STK053333
ZINC000006013718
ZINC06013718
ZINC6013718

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Available files

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