Vitas-M small molecule compound

N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentanediamide

Catalog ID
STK445003
SMILES N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2

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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 C25H28N4O2S2 MW 480.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S2/c26-14-18-16-8-3-1-5-10-20(16)32-24(18)28-22(30)12-7-13-23(31)29-25-19(15-27)17-9-4-2-6-11-21(17)33-25/h1-13H2,(H,28,30)(H,29,31)
InChIKey
DAVNKLHBFPCENY-UHFFFAOYSA-N
Synonyms

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N
InChI=1SC25H28N4O2S2c2614181683151020(16)3224(18)2822(30)1271323(31)292519(1527)1794261121(17)3325h113H2(H2830)(H2931)
MFCD01920238
NNbis(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)pentanediamide
ZINC000008432169
ZINC08432169
ZINC8432169

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Available files

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