Vitas-M small molecule compound
(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-({[4-(morpholin-4-ylsulfonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359583
SMILES CC1=NN(C(=O)/C/1=C\Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(c(c1)C)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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-16-4-7-20(14-17(16)2)27-23(28)22(18(3)25-27)15-24-19-5-8-21(9-6-19)32(29,30)26-10-12-31-13-11-26/h4-9,14-15,24H,10-13H2,1-3H3/b22-15-InChIKey
GTQIMHKZGYMNNZ-JCMHNJIXSA-NSynonyms
(4Z)2(34dimethylphenyl)5methyl4(((4(morpholin4ylsulfonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(34dimethylphenyl)5methyl4((4morpholin4ylsulfonylanilino)methylidene)pyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=N2)C)C
CC1=NN(C(=O)C1=CNc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(c(c1)C)C
InChI=1SC23H26N4O4Sc1164720(1417(16)2)2723(28)22(18(3)2527)1524195821(9619)32(2930)26101231131126h49141524H1013H213H3b2215
MFCD28033762
ZINC000095471591
ZINC95471591
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