Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868306
SMILES COc1cc(CCN/C=C\2/C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)ccc1OC
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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 C22H19F3N4O3S MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N4O3S/c1-31-16-8-7-13(11-17(16)32-2)9-10-26-12-14-19(22(23,24)25)28-29(20(14)30)21-27-15-5-3-4-6-18(15)33-21/h3-8,11-12,26H,9-10H2,1-2H3/b14-12+InChIKey
MQPUWPOUCSHLPN-WYMLVPIESA-NSynonyms
(4E)2(13benzothiazol2yl)4(((2(34dimethoxyphenyl)ethyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4((2(34DIMETHOXYPHENYL)ETHYLAMINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(((34dimethoxyphenethyl)amino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((2(34DIMETHOXYPHENYL)ETHYL)AMINO)METHYLENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
COC1=C(C=C(C=C1)CCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC
COc1cc(CCNC=C2C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)ccc1OC
InChI=1SC22H19F3N4O3Sc131168713(1117(16)322)91026121419(22(2324)25)2829(20(14)30)212715534618(15)3321h38111226H910H212H3b1412+
MFCD01210637
ZINC000100650567
ZINC100650567
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.