Vitas-M small molecule compound
(4E)-4-({[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-2-(2,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295612
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2nnc(s2)c2ccc(cc2Cl)Cl)/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 C21H17Cl2N5OS MW 458.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5OS/c1-11-4-7-18(12(2)8-11)28-20(29)16(13(3)27-28)10-24-21-26-25-19(30-21)15-6-5-14(22)9-17(15)23/h4-10H,1-3H3,(H,24,26)/b16-10+InChIKey
RQKSMVUTPGTKPQ-MHWRWJLKSA-NSynonyms
(4E)4(((5(24dichlorophenyl)134thiadiazol2yl)amino)methylidene)2(24dimethylphenyl)5methyl24dihydro3Hpyrazol3one
(4E)4(((5(24dichlorophenyl)134thiadiazol2yl)amino)methylidene)2(24dimethylphenyl)5methylpyrazol3one
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=NN=C(S3)C4=C(C=C(C=C4)Cl)Cl)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2nnc(s2)c2ccc(cc2Cl)Cl)C1=O)C
InChI=1SC21H17Cl2N5OSc1114718(12(2)811)2820(29)16(13(3)2728)102421262519(3021)156514(22)917(15)23h410H13H3(H2426)b1610+
MFCD28033054
ZINC000101113884
ZINC101113884
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