Vitas-M small molecule compound

3-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole

Catalog ID
STK508230
SMILES Fc1ccc(c2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccccc1

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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 C25H18FN3S MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN3S/c26-23-16-15-19(21-13-7-8-14-22(21)23)17-30-25-28-27-24(18-9-3-1-4-10-18)29(25)20-11-5-2-6-12-20/h1-16H,17H2
InChIKey
LRVLONVVMRBYIG-UHFFFAOYSA-N
Synonyms

3(((4fluoronaphthalen1yl)methyl)sulfanyl)45diphenyl4H124triazole
3((4FLUORONAPHTHALEN1YL)METHYLSULFANYL)45DIPHENYL124TRIAZOLE
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C5=CC=CC=C45)F
InChI=1SC25H18FN3Sc2623161519(2113781422(21)23)173025282724(1893141018)29(25)20115261220h116H17H2
MFCD01429208
ZINC000003667544
ZINC03667544
ZINC3667544

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Available files

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