Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(3-methoxypropyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL169472
SMILES COCCCN/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 C22H21ClN4O2S2 MW 473.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2S2/c1-29-12-4-11-24-13-17-19(14-30-16-9-7-15(23)8-10-16)26-27(21(17)28)22-25-18-5-2-3-6-20(18)31-22/h2-3,5-10,13,24H,4,11-12,14H2,1H3/b17-13+InChIKey
DBCGDULFCPOEDG-GHRIWEEISA-NSynonyms
(4E)2(13benzothiazol2yl)5(((4chlorophenyl)sulfanyl)methyl)4(((3methoxypropyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)5((4chlorophenyl)sulfanylmethyl)4((3methoxypropylamino)methylidene)pyrazol3one
COCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
COCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl
InChI=1SC22H21ClN4O2S2c1291241124131719(1430169715(23)81016)2627(21(17)28)222518523620(18)3122h235101324H4111214H21H3b1713+
MFCD01921751
ZINC000022708944
ZINC22708944
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