Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-benzylpiperidin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482228
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCC(CC1)Cc1ccccc1
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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 C25H23F3N4OS MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F3N4OS/c1-16(31-13-11-18(12-14-31)15-17-7-3-2-4-8-17)21-22(25(26,27)28)30-32(23(21)33)24-29-19-9-5-6-10-20(19)34-24/h2-10,18H,11-15H2,1H3/b21-16+InChIKey
PYKVDATVUPWEGE-LTGZKZEYSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1(4benzylpiperidin1yl)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1(4benzylpiperidin1yl)ethylidene)5(trifluoromethyl)pyrazol3one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCC(CC4)CC5=CC=CC=C5
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCC(CC1)Cc1ccccc1
InChI=1SC25H23F3N4OSc116(31131118(121431)15177324817)2122(25(2627)28)3032(23(21)33)2429199561020(19)3424h21018H1115H21H3b2116+
MFCD01919292
ZINC000008694713
ZINC8694713
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