Vitas-M small molecule compound

2-{[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STL375402
SMILES Fc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1Cc1ccccc1

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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 C23H18FN3OS MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3OS/c24-19-11-13-20(14-12-19)27-22(15-17-7-3-1-4-8-17)25-26-23(27)29-16-21(28)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
QXQHPCCSNLOHOW-UHFFFAOYSA-N
Synonyms

2((5BENZYL4(4FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5benzyl4(4fluorophenyl)4H124triazol3yl)sulfanyl)1phenylethanone
C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4
InChI=1SC23H18FN3OSc2419111320(141219)2722(15177314817)252623(27)291621(28)1895261018h114H1516H2
MFCD03997295
ZINC000004491233
ZINC04491233
ZINC4491233

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Available files

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