Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262445
SMILES CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCN1CCNCC1
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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 C20H23F3N6OS MW 452.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23F3N6OS/c1-2-13(25-9-12-28-10-7-24-8-11-28)16-17(20(21,22)23)27-29(18(16)30)19-26-14-5-3-4-6-15(14)31-19/h3-6,24-25H,2,7-12H2,1H3/b16-13+InChIKey
DYBIJWBACFCUJX-DTQAZKPQSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((2(piperazin1yl)ethyl)amino)propylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1(2piperazin1ylethylamino)propylidene)5(trifluoromethyl)pyrazol3one
1BENZOTHIAZOL2YL4(((2PIPERAZINYLETHYL)AMINO)PROPYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCN4CCNCC4
CCC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCN1CCNCC1
InChI=1SC20H23F3N6OSc1213(25912281072481128)1617(20(2122)23)2729(18(16)30)192614534615(14)3119h362425H2712H21H3b1613+
MFCD02067866
ZINC000100158136
ZINC100158136
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