Vitas-M small molecule compound

(4E)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL226694
SMILES CC1=NN(C(=O)/C/1=C/Nc1cc(ccc1Cl)C(F)(F)F)C1CCS(=O)(=O)C1

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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 C16H15ClF3N3O3S MW 421.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClF3N3O3S/c1-9-12(15(24)23(22-9)11-4-5-27(25,26)8-11)7-21-14-6-10(16(18,19)20)2-3-13(14)17/h2-3,6-7,11,21H,4-5,8H2,1H3/b12-7+
InChIKey
SGXNVUGBKOKTTH-KPKJPENVSA-N
Synonyms

(4E)4(((2chloro5(trifluoromethyl)phenyl)amino)methylidene)2(11dioxidotetrahydrothiophen3yl)5methyl24dihydro3Hpyrazol3one
(4E)4((2chloro5(trifluoromethyl)anilino)methylidene)2(11dioxothiolan3yl)5methylpyrazol3one
(E)4(((2chloro5(trifluoromethyl)phenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1cc(ccc1Cl)C(F)(F)F)C1CCS(=O)(=O)C1
CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)C(F)(F)F)Cl)C3CCS(=O)(=O)C3
InChI=1SC16H15ClF3N3O3Sc1912(15(24)23(229)114527(2526)811)72114610(16(1819)20)2313(14)17h23671121H458H21H3b127+
MFCD09845096
ZINC000101471651
ZINC000101471654

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Available files

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