Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL171136
SMILES CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/Nc1ccc(cc1)Br
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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 C20H14BrF3N4OS MW 495.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrF3N4OS/c1-2-13(25-12-9-7-11(21)8-10-12)16-17(20(22,23)24)27-28(18(16)29)19-26-14-5-3-4-6-15(14)30-19/h3-10,25H,2H2,1H3/b16-13+InChIKey
SXPZWLHGSRLJBP-DTQAZKPQSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((4bromophenyl)amino)propylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1(4bromoanilino)propylidene)5(trifluoromethyl)pyrazol3one
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4=CC=C(C=C4)Br
CCC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)Nc1ccc(cc1)Br
InChI=1SC20H14BrF3N4OSc1213(25129711(21)81012)1617(20(2223)24)2728(18(16)29)192614534615(14)3019h31025H2H21H3b1613+
MFCD01920548
ZINC000100157848
ZINC100157848
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