Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(2-hydroxyethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK132840
SMILES OCC/N=C/c1c(CSc2ccc(cc2)Cl)[nH]n(c1=O)c1nc2c(s1)cccc2
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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 C20H17ClN4O2S2 MW 444.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S2/c21-13-5-7-14(8-6-13)28-12-17-15(11-22-9-10-26)19(27)25(24-17)20-23-16-3-1-2-4-18(16)29-20/h1-8,11,24,26H,9-10,12H2/b22-11+InChIKey
JMUPXIVTOAANOA-SSDVNMTOSA-NSynonyms
373613-64-0(E)2(benzo(d)thiazol2yl)5(((4chlorophenyl)thio)methyl)4(((2hydroxyethyl)imino)methyl)1Hpyrazol3(2H)one
2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4((E)((2hydroxyethyl)imino)methyl)12dihydro3Hpyrazol3one
373613640
MFCD01948634
OCCN=Cc1c(CSc2ccc(cc2)Cl)(nH)n(c1=O)c1nc2c(s1)cccc2
ZINC000100466350
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