Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(hexylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK091016
SMILES CCCCCCN/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 C24H25ClN4OS2 MW 485.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4OS2/c1-2-3-4-7-14-26-15-19-21(16-31-18-12-10-17(25)11-13-18)28-29(23(19)30)24-27-20-8-5-6-9-22(20)32-24/h5-6,8-13,15,26H,2-4,7,14,16H2,1H3/b19-15+InChIKey
GLBCUNUEGROEBM-XDJHFCHBSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)5(((4CHLOROPHENYL)SULFANYL)METHYL)4((HEXYLAMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)5((4CHLOROPHENYL)SULFANYLMETHYL)4((HEXYLAMINO)METHYLIDENE)PYRAZOL3ONE
CCCCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl
CCCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl
InChI=1SC24H25ClN4OS2c123471426151921(163118121017(25)111318)2829(23(19)30)242720856922(20)3224h568131526H2471416H21H3b1915+
MFCD03034020
STK091016
ZINC000009680294
ZINC09680294
ZINC9680294
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