Vitas-M small molecule compound

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

Catalog ID
STK073539
SMILES Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

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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 C21H14BrFN4OS MW 469.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrFN4OS/c22-16-5-9-18(10-6-16)27-20(15-2-1-11-24-12-15)25-26-21(27)29-13-19(28)14-3-7-17(23)8-4-14/h1-12H,13H2
InChIKey
SFWDDURZMTXHDK-UHFFFAOYSA-N
Synonyms
477330-58-8
2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHAN1ONE
2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2((4(4BROMOPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)1(4FLUOROPHENYL)ETHANONE
2((4(4bromophenyl)5pyridin3yl124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2(4(4BROMOPHENYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
477330588
C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
InChI=1SC21H14BrFN4OSc22165918(10616)2720(152111241215)252621(27)291319(28)143717(23)8414h112H13H2
MFCD03224892
STK073539
ZINC000000949969
ZINC00949969
ZINC949969

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Available files

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