Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[3-(trifluoromethoxy)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK262035
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1cccc(c1)OC(F)(F)F)/C)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 C22H17F3N4O4S MW 490.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N4O4S/c1-12(26-13-6-5-7-14(10-13)33-22(23,24)25)19-16(11-18(30)32-2)28-29(20(19)31)21-27-15-8-3-4-9-17(15)34-21/h3-10,26H,11H2,1-2H3/b19-12-InChIKey
XPSNJAJFZZXWKB-UNOMPAQXSA-NSynonyms
(Z)methyl2(1(benzo(d)thiazol2yl)5oxo4(1((3(trifluoromethoxy)phenyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC(=CC=C4)OC(F)(F)F
COC(=O)CC1=NN(C(=O)C1=C(Nc1cccc(c1)OC(F)(F)F)C)c1nc2c(s1)cccc2
InChI=1SC22H17F3N4O4Sc112(261365714(1013)3322(2324)25)1916(1118(30)322)2829(20(19)31)212715834917(15)3421h31026H11H212H3b1912
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((3(trifluoromethoxy)phenyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)1(13benzothiazol2yl)5oxo4(1(3(trifluoromethoxy)anilino)ethylidene)pyrazol3yl)acetate
METHYL2(1BENZOTHIAZOL2YL5OXO4(((3(TRIFLUOROMETHOXY)PHENYL)AMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD07598148
ZINC000100423692
ZINC09060696
ZINC100423692
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.