Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-hydroxy-3,5-dimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK053587
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1O)OC
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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 C26H20ClN3O4S2 MW 538.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O4S2/c1-33-21-12-15(13-22(34-2)24(21)31)11-18-20(14-35-17-9-7-16(27)8-10-17)29-30(25(18)32)26-28-19-5-3-4-6-23(19)36-26/h3-13,31H,14H2,1-2H3/b18-11-InChIKey
WKKXSOYGSBFOEU-WQRHYEAKSA-NSynonyms
(4Z)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(4hydroxy35dimethoxybenzylidene)24dihydro3Hpyrazol3one
COc1cc(C=C2C(=NN(C2=O)c2nc3c(s2)cccc3)CSc2ccc(cc2)Cl)cc(c1O)OC
MFCD08051216
STK053587
ZINC000097958712
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