Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL169430
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCN(CC1)c1ccccc1
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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 C23H20F3N5OS MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N5OS/c1-15(29-11-13-30(14-12-29)16-7-3-2-4-8-16)19-20(23(24,25)26)28-31(21(19)32)22-27-17-9-5-6-10-18(17)33-22/h2-10H,11-14H2,1H3/b19-15+InChIKey
SLMIUFOXUJGIJB-XDJHFCHBSA-NSynonyms
374542-98-0(4E)2(13benzothiazol2yl)4(1(4phenylpiperazin1yl)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(4PHENYLPIPERAZIN1YL)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(1(4PHENYL1PIPERAZINYL)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
374542980
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCN(CC4)C5=CC=CC=C5
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCN(CC1)c1ccccc1
InChI=1SC23H20F3N5OSc115(29111330(141229)167324816)1920(23(2425)26)2831(21(19)32)2227179561018(17)3322h210H1114H21H3b1915+
MFCD01919192
ZINC000000997493
ZINC00997493
ZINC997493
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