Vitas-M small molecule compound
(4Z)-2-(3-chlorophenyl)-5-methyl-4-({[4-(morpholin-4-ylsulfonyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295181
SMILES Clc1cccc(c1)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)18-4-2-3-16(22)13-18)14-23-17-5-7-19(8-6-17)31(28,29)25-9-11-30-12-10-25/h2-8,13-14,23H,9-12H2,1H3/b20-14-InChIKey
GTCQFQFJVXAYGW-ZHZULCJRSA-NSynonyms
(4Z)2(3chlorophenyl)5methyl4(((4(morpholin4ylsulfonyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(3chlorophenyl)5methyl4((4morpholin4ylsulfonylanilino)methylidene)pyrazol3one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1N=C(C(=CNc2ccc(cc2)S(=O)(=O)N2CCOCC2)C1=O)C
InChI=1SC21H21ClN4O4Sc11520(21(27)26(2415)1842316(22)1318)1423175719(8617)31(2829)2591130121025h28131423H912H21H3b2014
MFCD28032906
ZINC000095470937
ZINC95470937
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