Vitas-M small molecule compound

3-[(4-fluorobenzyl)sulfanyl]-4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole

Catalog ID
STK474860
SMILES Fc1ccc(cc1)CSc1nnc(n1C)Cc1cccn1C

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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 C16H17FN4S MW 316.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17FN4S/c1-20-9-3-4-14(20)10-15-18-19-16(21(15)2)22-11-12-5-7-13(17)8-6-12/h3-9H,10-11H2,1-2H3
InChIKey
IGOIMIHZQIYMGN-UHFFFAOYSA-N
Synonyms

3((4fluorobenzyl)sulfanyl)4methyl5((1methyl1Hpyrrol2yl)methyl)4H124triazole
3((4fluorophenyl)methylsulfanyl)4methyl5((1methylpyrrol2yl)methyl)124triazole
3((4FLUOROPHENYL)METHYLTHIO)4METHYL5((1METHYLPYRROL2YL)METHYL)124TRIAZOLE
CN1C=CC=C1CC2=NN=C(N2C)SCC3=CC=C(C=C3)F
InChI=1SC16H17FN4Sc12093414(20)1015181916(21(15)2)2211125713(17)8612h39H1011H212H3
MFCD07064706
ZINC000017053886
ZINC17053886

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Available files

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