Vitas-M small molecule compound

5-cyclopentyl-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK465294
SMILES Sc1nnc(n1CC1CCCO1)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 C12H19N3OS MW 253.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N3OS/c17-12-14-13-11(9-4-1-2-5-9)15(12)8-10-6-3-7-16-10/h9-10H,1-8H2,(H,14,17)
InChIKey
LBTJZTUEHJVFTD-UHFFFAOYSA-N
Synonyms

3cyclopentyl4(oxolan2ylmethyl)1H124triazole5thione
5CYCLOPENTYL4(OXOLAN2YLMETHYL)124TRIAZOLE3THIOL
5cyclopentyl4(tetrahydrofuran2ylmethyl)4H124triazole3thiol
C1CCC(C1)C2=NNC(=S)N2CC3CCCO3
InChI=1SC12H19N3OSc1712141311(941259)15(12)8106371610h910H18H2(H1417)
MFCD06761430
ZINC000016989360
ZINC000016989363

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Available files

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