Vitas-M small molecule compound

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

Catalog ID
STK548666
SMILES CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1cccnc1

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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 C23H19FN4O2S MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O2S/c1-2-30-20-11-9-19(10-12-20)28-22(17-4-3-13-25-14-17)26-27-23(28)31-15-21(29)16-5-7-18(24)8-6-16/h3-14H,2,15H2,1H3
InChIKey
JDSOTPIIQKBZCC-UHFFFAOYSA-N
Synonyms
477331-51-4
2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHAN1ONE
2((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((4(4ETHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)1(4FLUOROPHENYL)ETHANONE
2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(4(4ETHOXYPHENYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
477331514
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4
InChI=1SC23H19FN4O2Sc12302011919(101220)2822(174313251417)262723(28)311521(29)165718(24)8616h314H215H21H3
MFCD03225093
ZINC000001088279
ZINC01088279
ZINC1088279

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Available files

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