Vitas-M small molecule compound

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

Catalog ID
STK418308
SMILES N#Cc1c(NC(=O)CCCC(=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 C27H32N4O2S2 MW 508.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O2S2/c28-16-20-18-10-5-1-3-7-12-22(18)34-26(20)30-24(32)14-9-15-25(33)31-27-21(17-29)19-11-6-2-4-8-13-23(19)35-27/h1-15H2,(H,30,32)(H,31,33)
InChIKey
BANLJASBJNIEIE-UHFFFAOYSA-N
Synonyms
353789-88-5
353789885
C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CCCCCC4)C#N)C#N
InChI=1SC27H32N4O2S2c281620181051371222(18)3426(20)3024(32)1491525(33)312721(1729)191162481323(19)3527h115H2(H3032)(H3133)
MFCD01835253
NNbis(3cyano456789hexahydrocycloocta(b)thiophen2yl)pentanediamide
ZINC000002085826
ZINC02085826
ZINC2085826

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Available files

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