Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[(pentylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK083640
SMILES CCCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
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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 C24H26N4OS2 MW 450.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4OS2/c1-3-4-7-14-25-15-19-21(16-30-18-12-10-17(2)11-13-18)27-28(23(19)29)24-26-20-8-5-6-9-22(20)31-24/h5-6,8-13,15,25H,3-4,7,14,16H2,1-2H3/b19-15+InChIKey
UYUSOLJCGFKBGQ-XDJHFCHBSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(((4METHYLPHENYL)SULFANYL)METHYL)4((PENTYLAMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5((4METHYLPHENYL)SULFANYLMETHYL)4((PENTYLAMINO)METHYLIDENE)PYRAZOL3ONE
2(13BENZOTHIAZOL2YL)5(((4METHYLPHENYL)SULFANYL)METHYL)4((PENTYLAMINO)METHYLENE)24DIHYDRO3HPYRAZOL3ONE
CCCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
CCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)C
InChI=1SC24H26N4OS2c13471425151921(163018121017(2)111318)2728(23(19)29)242620856922(20)3124h568131525H3471416H212H3b1915+
MFCD02944260
STK083640
ZINC000008385484
ZINC08385484
ZINC8385484
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