Vitas-M small molecule compound
(4E)-5-oxo-3-phenyl-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK081660
SMILES NC(=S)N1N=C(/C(=N\Nc2ccccc2C(F)(F)F)/C1=O)c1ccccc1
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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 C17H12F3N5OS MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N5OS/c18-17(19,20)11-8-4-5-9-12(11)22-23-14-13(10-6-2-1-3-7-10)24-25(15(14)26)16(21)27/h1-9,22H,(H2,21,27)/b23-14+InChIKey
OQDNRFJKNRYFIN-OEAKJJBVSA-NSynonyms
(4E)5OXO3PHENYL4((2(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)PYRAZOLE1CARBOTHIOAMIDE
(4E)5OXO3PHENYL4(2(2(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
5OXO3PHENYL4((2(TRIFLUOROMETHYL)PHENYL)HYDRAZONO)45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=CC=C3C(F)(F)F)C(=S)N
InChI=1SC17H12F3N5OSc1817(1920)11845912(11)22231413(106213710)2425(15(14)26)16(21)27h1922H(H22127)b2314+
MFCD01027649
NC(=S)N1N=C(C(=NNc2ccccc2C(F)(F)F)C1=O)c1ccccc1
STK081660
ZINC000100006107
ZINC08658673
ZINC8658673
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