Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[4-(4-bromophenoxy)phenyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL170828
SMILES Brc1ccc(cc1)Oc1ccc(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 C25H16BrF3N4O2S MW 573.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrF3N4O2S/c1-14(30-16-8-12-18(13-9-16)35-17-10-6-15(26)7-11-17)21-22(25(27,28)29)32-33(23(21)34)24-31-19-4-2-3-5-20(19)36-24/h2-13,30H,1H3/b21-14+InChIKey
JEUSYUNDKOOLSV-KGENOOAVSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((4(4bromophenoxy)phenyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(4(4BROMOPHENOXY)ANILINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(1(4(4BROMOPHENOXY)ANILINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
Brc1ccc(cc1)Oc1ccc(cc1)NC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Br
InChI=1SC25H16BrF3N4O2Sc114(301681218(13916)351710615(26)71117)2122(25(2728)29)3233(23(21)34)243119423520(19)3624h21330H1H3b2114+
MFCD01647730
ZINC000100095089
ZINC08431289
ZINC100095089
Check stock
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Check stock on Vitas-MAvailable files
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