Vitas-M small molecule compound

1-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK583164
SMILES O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccccc1)c1ccccn1

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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 C21H14Cl2N4OS MW 441.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl2N4OS/c22-16-10-9-14(12-17(16)23)19(28)13-29-21-26-25-20(18-8-4-5-11-24-18)27(21)15-6-2-1-3-7-15/h1-12H,13H2
InChIKey
OSAKAMGNRDNCDX-UHFFFAOYSA-N
Synonyms
899382-99-1
1(34DICHLOROPHENYL)2((4PHENYL5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34dichlorophenyl)2((4phenyl5(pyridin2yl)4H124triazol3yl)sulfanyl)ethanone
1(34dichlorophenyl)2((4phenyl5(pyridin2yl)4H124triazol3yl)thio)ethanone
1(34DICHLOROPHENYL)2((4PHENYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DICHLOROPHENYL)2(4PHENYL5(2PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
899382991
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4
InChI=1SC21H14Cl2N4OSc221610914(1217(16)23)19(28)132921262520(18845112418)27(21)156213715h112H13H2
MFCD06608051
ZINC000002338643
ZINC02338643
ZINC2338643

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.