Vitas-M small molecule compound
methyl 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STL169404
SMILES COC(=O)c1ccc(cc1)N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C
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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 C21H15F3N4O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O3S/c1-11(25-13-9-7-12(8-10-13)19(30)31-2)16-17(21(22,23)24)27-28(18(16)29)20-26-14-5-3-4-6-15(14)32-20/h3-10,25H,1-2H3/b16-11+InChIKey
MYMIVTGCQRRSBM-LFIBNONCSA-NSynonyms
353772-25-5(E)methyl4((1(1(benzo(d)thiazol2yl)5oxo3(trifluoromethyl)1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
353772255
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
InChI=1SC21H15F3N4O3Sc111(25139712(81013)19(30)312)1617(21(2223)24)2728(18(16)29)202614534615(14)3220h31025H12H3b1611+
methyl4(((1E)1(1(13benzothiazol2yl)5oxo3(trifluoromethyl)15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
METHYL4(((1E)1(1(13BENZOTHIAZOL2YL)5OXO3(TRIFLUOROMETHYL)PYRAZOL4YLIDENE)ETHYL)AMINO)BENZOATE
METHYL4((1(2(13BENZOTHIAZOL2YL)3OXO5(TRIFLUOROMETHYL)23DIHYDRO1HPYRAZOL4YL)ETHYLIDENE)AMINO)BENZOATE
MFCD01810991
ZINC000100280773
ZINC100280773
Check stock
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Check stock on Vitas-MAvailable files
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