Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(3H-indol-3-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK958047
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCC1C=Nc2c1cccc2
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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 C23H18F3N5OS MW 469.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18F3N5OS/c1-13(27-11-10-14-12-28-16-7-3-2-6-15(14)16)19-20(23(24,25)26)30-31(21(19)32)22-29-17-8-4-5-9-18(17)33-22/h2-9,12,14,27H,10-11H2,1H3/b19-13+InChIKey
CQVABOFURQNMHA-CPNJWEJPSA-NSynonyms
353766-33-3(4E)2(13benzothiazol2yl)4(1((2(3Hindol3yl)ethyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1(2(3Hindol3yl)ethylamino)ethylidene)5(trifluoromethyl)pyrazol3one
353766333
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCC4C=NC5=CC=CC=C45
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCC1C=Nc2c1cccc2
InChI=1SC23H18F3N5OSc113(27111014122816732615(14)16)1920(23(2425)26)3031(21(19)32)222917845918(17)3322h29121427H1011H21H3b1913+
MFCD01920570
ZINC000018069182
ZINC000100095505
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