Vitas-M small molecule compound

4-(3-methoxypropyl)-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306487
SMILES COCCCn1c(nnc1S)CCn1ncc(c1)C

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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 C12H19N5OS MW 281.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N5OS/c1-10-8-13-16(9-10)6-4-11-14-15-12(19)17(11)5-3-7-18-2/h8-9H,3-7H2,1-2H3,(H,15,19)
InChIKey
FDLLAXZWWKACDE-UHFFFAOYSA-N
Synonyms
1005566-55-1
1005566551
4(3METHOXYPROPYL)3(2(4METHYLPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4(3methoxypropyl)5(2(4methyl1Hpyrazol1yl)ethyl)4H124triazole3thiol
CC1=CN(N=C1)CCC2=NNC(=S)N2CCCOC
InChI=1SC12H19N5OSc11081316(910)6411141512(19)17(11)537182h89H37H212H3(H1519)
MFCD05666912
ZINC000002790870
ZINC02790870
ZINC2790870

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Available files

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