Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-hydroxy-3-methoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK069253
SMILES COc1cc(ccc1O)/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
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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 C25H18ClN3O3S2 MW 508.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClN3O3S2/c1-32-22-13-15(6-11-21(22)30)12-18-20(14-33-17-9-7-16(26)8-10-17)28-29(24(18)31)25-27-19-4-2-3-5-23(19)34-25/h2-13,30H,14H2,1H3/b18-12+InChIKey
XGJZTBWYHSEEEA-LDADJPATSA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(4hydroxy3methoxybenzylidene)24dihydro3Hpyrazol3one
COc1cc(ccc1O)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
MFCD04062386
STK069253
ZINC000008749733
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