Vitas-M small molecule compound

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

Catalog ID
STK481629
SMILES Fc1cccc(c1)CSc1nnc(n1C)C1CCCC1

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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 C15H18FN3S MW 291.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18FN3S/c1-19-14(12-6-2-3-7-12)17-18-15(19)20-10-11-5-4-8-13(16)9-11/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKey
LWEYOUUJHSAMPU-UHFFFAOYSA-N
Synonyms

3cyclopentyl5((3fluorobenzyl)sulfanyl)4methyl4H124triazole
3CYCLOPENTYL5((3FLUOROPHENYL)METHYLSULFANYL)4METHYL124TRIAZOLE
3CYCLOPENTYL5((3FLUOROPHENYL)METHYLTHIO)4METHYL124TRIAZOLE
CN1C(=NN=C1SCC2=CC(=CC=C2)F)C3CCCC3
InChI=1SC15H18FN3Sc11914(12623712)171815(19)20101154813(16)911h458912H236710H21H3
MFCD06074517
ZINC000006700239
ZINC06700239
ZINC6700239

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Available files

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