Vitas-M small molecule compound

4-(2-methylpropyl)-5-[5-(propan-2-yl)thiophen-3-yl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK449814
SMILES CC(Cn1c(S)nnc1c1csc(c1)C(C)C)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 C13H19N3S2 MW 281.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3S2/c1-8(2)6-16-12(14-15-13(16)17)10-5-11(9(3)4)18-7-10/h5,7-9H,6H2,1-4H3,(H,15,17)
InChIKey
AUJDGTAHXHTKIE-UHFFFAOYSA-N
Synonyms

4(2METHYLPROPYL)3(5PROPAN2YLTHIOPHEN3YL)1H124TRIAZOLE5THIONE
4(2methylpropyl)5(5(propan2yl)thiophen3yl)4H124triazole3thiol
4ISOBUTYL5(5ISOPROPYL3THIENYL)4H124TRIAZOL3YLHYDROSULFIDE
5(5(METHYLETHYL)(3THIENYL))4(2METHYLPROPYL)124TRIAZOLE3THIOL
CC(C)CN1C(=NNC1=S)C2=CSC(=C2)C(C)C
InChI=1SC13H19N3S2c18(2)61612(141513(16)17)10511(9(3)4)18710h579H6H214H3(H1517)
MFCD03467224
ZINC000006493089
ZINC06493089
ZINC6493089

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Available files

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