Vitas-M small molecule compound

N,N'-bis(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)hexanediamide

Catalog ID
STK445212
SMILES N#Cc1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)sc2c1CCCCCC2

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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 C28H34N4O2S2 MW 522.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O2S2/c29-17-21-19-11-5-1-3-7-13-23(19)35-27(21)31-25(33)15-9-10-16-26(34)32-28-22(18-30)20-12-6-2-4-8-14-24(20)36-28/h1-16H2,(H,31,33)(H,32,34)
InChIKey
MWHQSOSPRAKIOG-UHFFFAOYSA-N
Synonyms

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CCCCCC4)C#N)C#N
InChI=1SC28H34N4O2S2c291721191151371323(19)3527(21)3125(33)159101626(34)322822(1830)201262481424(20)3628h116H2(H3133)(H3234)
MFCD01920335
NNbis(3cyano456789hexahydrocycloocta(b)thiophen2yl)hexanediamide
ZINC000008432215
ZINC08432215
ZINC8432215

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Available files

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