Vitas-M small molecule compound

1-(methylsulfonyl)-N,N'-bis(thiophen-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

Catalog ID
STK187661
SMILES CS(=O)(=O)n1nc(nc1NCc1cccs1)NCc1cccs1

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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 C13H15N5O2S3 MW 369.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O2S3/c1-23(19,20)18-13(15-9-11-5-3-7-22-11)16-12(17-18)14-8-10-4-2-6-21-10/h2-7H,8-9H2,1H3,(H2,14,15,16,17)
InChIKey
NCCZJYNADXRUIY-UHFFFAOYSA-N
Synonyms

1(METHYLSULFONYL)NNBIS(2THIENYLMETHYL)1H124TRIAZOLE35DIAMINE
1(METHYLSULFONYL)NNBIS(THIOPHEN2YLMETHYL)1H124TRIAZOLE35DIAMINE
1METHYLSULFONYL3N5NBIS(THIOPHEN2YLMETHYL)124TRIAZOLE35DIAMINE
CS(=O)(=O)N1C(=NC(=N1)NCC2=CC=CS2)NCC3=CC=CS3
InChI=1SC13H15N5O2S3c123(1920)1813(159115372211)1612(1718)148104262110h27H89H21H3(H214151617)
MFCD06630159
ZINC000004723828
ZINC04723828
ZINC4723828

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Available files

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