Vitas-M small molecule compound
(4Z)-2-(4-fluorophenyl)-5-methyl-4-({[4-(morpholin-4-ylsulfonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359363
SMILES Fc1ccc(cc1)N1N=C(/C(=C/Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)/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 C21H21FN4O4S MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN4O4S/c1-15-20(21(27)26(24-15)18-6-2-16(22)3-7-18)14-23-17-4-8-19(9-5-17)31(28,29)25-10-12-30-13-11-25/h2-9,14,23H,10-13H2,1H3/b20-14-InChIKey
HTSLMMDBBSVSGJ-ZHZULCJRSA-NSynonyms
(4Z)2(4fluorophenyl)5methyl4(((4(morpholin4ylsulfonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(4fluorophenyl)5methyl4((4morpholin4ylsulfonylanilino)methylidene)pyrazol3one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)F
Fc1ccc(cc1)N1N=C(C(=CNc2ccc(cc2)S(=O)(=O)N2CCOCC2)C1=O)C
InChI=1SC21H21FN4O4Sc11520(21(27)26(2415)186216(22)3718)1423174819(9517)31(2829)25101230131125h291423H1013H21H3b2014
MFCD01832423
ZINC000095471493
ZINC95471493
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