Vitas-M small molecule compound

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

Catalog ID
STK187663
SMILES O=S(=O)(n1nc(nc1NCc1cccs1)NCc1cccs1)c1ccccc1

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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 C18H17N5O2S3 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S3/c24-28(25,16-8-2-1-3-9-16)23-18(20-13-15-7-5-11-27-15)21-17(22-23)19-12-14-6-4-10-26-14/h1-11H,12-13H2,(H2,19,20,21,22)
InChIKey
OIEVYSUXNOPZES-UHFFFAOYSA-N
Synonyms

1(BENZENESULFONYL)3N5NBIS(THIOPHEN2YLMETHYL)124TRIAZOLE35DIAMINE
1(PHENYLSULFONYL)NNBIS(THIOPHEN2YLMETHYL)1H124TRIAZOLE35DIAMINE
C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4
InChI=1SC18H17N5O2S3c2428(25168213916)2318(20131575112715)2117(2223)19121464102614h111H1213H2(H219202122)
MFCD06631970
ZINC000009907563
ZINC09907563
ZINC9907563

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Available files

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