Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[4-(methylsulfanyl)benzylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK096594
SMILES CSc1ccc(cc1)/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 C26H21N3OS3 MW 487.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3OS3/c1-17-7-11-20(12-8-17)32-16-23-21(15-18-9-13-19(31-2)14-10-18)25(30)29(28-23)26-27-22-5-3-4-6-24(22)33-26/h3-15H,16H2,1-2H3/b21-15-InChIKey
NWXNRDBFKRFDDG-QNGOZBTKSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)5(((4METHYLPHENYL)SULFANYL)METHYL)4(4(METHYLSULFANYL)BENZYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)5((4METHYLPHENYL)SULFANYLMETHYL)4((4METHYLSULFANYLPHENYL)METHYLIDENE)PYRAZOL3ONE
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CC=C(C=C3)SC)C4=NC5=CC=CC=C5S4
CSc1ccc(cc1)C=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C
InChI=1SC26H21N3OS3c11771120(12817)32162321(151891319(312)141018)25(30)29(2823)262722534624(22)3326h315H16H212H3b2115
MFCD03033975
STK096594
ZINC000009730686
ZINC09730686
ZINC9730686
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