Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446392
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
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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 C23H19F3N6O3S MW 516.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N6O3S/c1-14(29-10-12-30(13-11-29)15-6-8-16(9-7-15)32(34)35)19-20(23(24,25)26)28-31(21(19)33)22-27-17-4-2-3-5-18(17)36-22/h2-9H,10-13H2,1H3/b19-14-InChIKey
WYCFEWFCBGCYAD-RGEXLXHISA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1(4(4nitrophenyl)piperazin1yl)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(4(4NITROPHENYL)PIPERAZIN1YL)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(1(4(4NITROPHENYL)1PIPERAZINYL)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCN(CC4)C5=CC=C(C=C5)(N+)(=O)(O)
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H19F3N6O3Sc114(29101230(131129)156816(9715)32(34)35)1920(23(2425)26)2831(21(19)33)222717423518(17)3622h29H1013H21H3b1914
MFCD01417164
ZINC000008385227
ZINC08385227
ZINC8385227
Check stock
See real-time availability and sample size for STL446392 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.