Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-chlorobenzyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL170810
SMILES Clc1ccc(cc1)CN/C=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2
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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 C19H12ClF3N4OS MW 436.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClF3N4OS/c20-12-7-5-11(6-8-12)9-24-10-13-16(19(21,22)23)26-27(17(13)28)18-25-14-3-1-2-4-15(14)29-18/h1-8,10,24H,9H2/b13-10+InChIKey
DRMHIJDNTKJWCU-JLHYYAGUSA-NSynonyms
(4E)2(13benzothiazol2yl)4(((4chlorobenzyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(((4CHLOROPHENYL)METHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(((4CHLOROBENZYL)IMINO)METHYL)5(TRIFLUOROMETHYL)12DIHYDRO3HPYRAZOL3ONE
C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CC=C(C=C4)Cl)C(=N3)C(F)(F)F
Clc1ccc(cc1)CNC=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2
InChI=1SC19H12ClF3N4OSc20127511(6812)924101316(19(2122)23)2627(17(13)28)182514312415(14)2918h181024H9H2b1310+
MFCD01919048
ZINC000095108924
ZINC95108924
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