Vitas-M small molecule compound
(4Z)-2-(2,4-dimethylphenyl)-5-methyl-4-{[(6-methyl-1,3-benzothiazol-2-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359465
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C/Nc2sc3c(n2)ccc(c3)C)/C1=O)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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-12-6-8-18(14(3)9-12)25-20(26)16(15(4)24-25)11-22-21-23-17-7-5-13(2)10-19(17)27-21/h5-11H,1-4H3,(H,22,23)/b16-11-InChIKey
NZXKXNWDQAVWLX-WJDWOHSUSA-NSynonyms
(4Z)2(24dimethylphenyl)5methyl4(((6methyl13benzothiazol2yl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(24dimethylphenyl)5methyl4(((6methyl13benzothiazol2yl)amino)methylidene)pyrazol3one
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=NC4=C(S3)C=C(C=C4)C)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2sc3c(n2)ccc(c3)C)C1=O)C
InChI=1SC21H20N4OSc1126818(14(3)912)2520(26)16(15(4)2425)11222123177513(2)1019(17)2721h511H14H3(H2223)b1611
MFCD01132870
ZINC000101346699
ZINC101346699
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