Vitas-M small molecule compound

3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile

Catalog ID
STK549759
SMILES CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1CCC2C=C1)C#N)N

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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 C20H28N4S2 MW 388.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4S2/c1-3-5-11-25-20(26-12-6-4-2)19(14-22)16-9-7-15(8-10-16)18(19,13-21)17(23)24-20/h7,9,15-16H,3-6,8,10-12H2,1-2H3,(H2,23,24)
InChIKey
IKXHYTTVFRPNQZ-UHFFFAOYSA-N
Synonyms
1008238-15-0
1008238150
3amino11bis(butylsulfanyl)47dihydro1H47ethanoisoindole3a7adicarbonitrile
3amino11bis(butylthio)3a477atetrahydro1H47ethanoisoindole3a7adicarbonitrile
CCCCSC1(C2(C3CCC(C2(C(=N1)N)C#N)C=C3)C#N)SCCCC
InChI=1SC20H28N4S2c135112520(2612642)19(1422)169715(81016)18(191321)17(23)2420h791516H3681012H212H3(H22324)
MFCD01557211
ZINC000100956662
ZINC000102708485

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Available files

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