Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[4-(2-hydroxyethyl)piperazin-1-yl]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK025224
SMILES OCCN1CCN(CC1)/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 C19H20F3N5O2S MW 439.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N5O2S/c1-12(26-8-6-25(7-9-26)10-11-28)15-16(19(20,21)22)24-27(17(15)29)18-23-13-4-2-3-5-14(13)30-18/h2-5,28H,6-11H2,1H3/b15-12+InChIKey
ORAVEJHFPILIFT-NTCAYCPXSA-NSynonyms
353478-17-8(4E)2(13BENZOTHIAZOL2YL)4(1(4(2HYDROXYETHYL)PIPERAZIN1YL)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(4(2HYDROXYETHYL)PIPERAZIN1YL)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1(4(2hydroxyethyl)piperazin1yl)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
353478178
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCN(CC4)CCO
InChI=1SC19H20F3N5O2Sc112(268625(7926)101128)1516(19(2021)22)2427(17(15)29)182313423514(13)3018h2528H611H21H3b1512+
MFCD01834525
OCCN1CCN(CC1)C(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
STK025224
ZINC000000857597
ZINC00857597
ZINC857597
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.