Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3,4-dichlorobenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957599
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCc1ccc(c(c1)Cl)Cl
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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 C20H13Cl2F3N4OS MW 485.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl2F3N4OS/c1-10(26-9-11-6-7-12(21)13(22)8-11)16-17(20(23,24)25)28-29(18(16)30)19-27-14-4-2-3-5-15(14)31-19/h2-8,26H,9H2,1H3/b16-10+InChIKey
UMPWVLJNDUYMTN-MHWRWJLKSA-NSynonyms
362589-77-3(4E)2(13benzothiazol2yl)4(1((34dichlorobenzyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1((34dichlorophenyl)methylamino)ethylidene)5(trifluoromethyl)pyrazol3one
2(13BENZOTHIAZOL2YL)4(1((34DICHLOROBENZYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
362589773
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCC4=CC(=C(C=C4)Cl)Cl
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCc1ccc(c(c1)Cl)Cl
InChI=1SC20H13Cl2F3N4OSc110(269116712(21)13(22)811)1617(20(2324)25)2829(18(16)30)192714423515(14)3119h2826H9H21H3b1610+
MFCD01919226
ZINC000008431459
ZINC08431459
ZINC8431459
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