Vitas-M small molecule compound
(4E)-4-{[(4-bromo-2-chlorophenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL010500
SMILES Brc1ccc(c(c1)Cl)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)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 C15H15BrClN3O3S MW 432.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrClN3O3S/c1-9-12(7-18-14-3-2-10(16)6-13(14)17)15(21)20(19-9)11-4-5-24(22,23)8-11/h2-3,6-7,11,18H,4-5,8H2,1H3/b12-7+InChIKey
FWAIHMOSLLUMFA-KPKJPENVSA-NSynonyms
(4E)4(((4bromo2chlorophenyl)amino)methylidene)2(11dioxidotetrahydrothiophen3yl)5methyl24dihydro3Hpyrazol3one
(4E)4((4bromo2chloroanilino)methylidene)2(11dioxothiolan3yl)5methylpyrazol3one
(E)4(((4bromo2chlorophenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5(4H)one
Brc1ccc(c(c1)Cl)NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)Br)Cl)C3CCS(=O)(=O)C3
InChI=1SC15H15BrClN3O3Sc1912(718143210(16)613(14)17)15(21)20(199)114524(2223)811h23671118H458H21H3b127+
MFCD09847452
ZINC000101060600
ZINC000101060601
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