Vitas-M small molecule compound
N-(3-chloro-4-fluorophenyl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL394476
SMILES O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccccc1)c1cc(n(n1)C)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 C21H18ClFN6OS MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN6OS/c1-13-10-18(27-28(13)2)20-25-26-21(29(20)15-6-4-3-5-7-15)31-12-19(30)24-14-8-9-17(23)16(22)11-14/h3-11H,12H2,1-2H3,(H,24,30)InChIKey
LIGSBNNFYWUYQM-UHFFFAOYSA-NSynonyms
957311-76-1957311761
CC1=CC(=NN1C)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)F)Cl
InChI=1SC21H18ClFN6OSc1131018(2728(13)2)20252621(29(20)156435715)311219(30)24148917(23)16(22)1114h311H12H212H3(H2430)
MFCD04048366
N(3CHLORO4FLUOROPHENYL)2((5(15DIMETHYL1HPYRAZOL3YL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO4FLUOROPHENYL)2((5(15DIMETHYLPYRAZOL3YL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000652995
ZINC00652995
ZINC652995
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