Vitas-M small molecule compound

4-butyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK449456
SMILES CCCCn1c(S)nnc1c1csc(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 C11H15N3S2 MW 253.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15N3S2/c1-3-4-5-14-10(12-13-11(14)15)9-6-8(2)16-7-9/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKey
LHFUWGQRVTZXAV-UHFFFAOYSA-N
Synonyms

4BUTYL3(5METHYLTHIOPHEN3YL)1H124TRIAZOLE5THIONE
4BUTYL5(5METHYL(3THIENYL))124TRIAZOLE3THIOL
4BUTYL5(5METHYL3THIENYL)4H124TRIAZOL3YLHYDROSULFIDE
4butyl5(5methylthiophen3yl)4H124triazole3thiol
CCCCN1C(=NNC1=S)C2=CSC(=C2)C
InChI=1SC11H15N3S2c13451410(121311(14)15)968(2)1679h67H35H212H3(H1315)
MFCD03467548
ZINC000005898020
ZINC05898020
ZINC5898020

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Available files

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