Vitas-M small molecule compound
(4E)-2-(4-chlorophenyl)-5-methyl-4-({[4-(morpholin-4-ylsulfonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK750468
SMILES Clc1ccc(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 C21H21ClN4O4S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O4S/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
GXKPQPKZHAAGFT-XSFVSMFZSA-NSynonyms
(4E)2(4chlorophenyl)5methyl4(((4(morpholin4ylsulfonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)2(4CHLOROPHENYL)5METHYL4((4MORPHOLIN4YLSULFONYLANILINO)METHYLIDENE)PYRAZOL3ONE
2(4CHLOROPHENYL)5METHYL4(((4(4MORPHOLINYLSULFONYL)PHENYL)AMINO)METHYLENE)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)N1N=C(C(=CNc2ccc(cc2)S(=O)(=O)N2CCOCC2)C1=O)C
InChI=1SC21H21ClN4O4Sc11520(21(27)26(2415)186216(22)3718)1423174819(9517)31(2829)25101230131125h291423H1013H21H3b2014+
MFCD00697315
ZINC000100037584
ZINC100037584
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