Vitas-M small molecule compound

2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-(methylsulfanyl)-3-oxohexanenitrile

Catalog ID
STK036871
SMILES CSCCC(C(=O)/C(=c\1/[nH]c2c([nH]1)cccc2)/C#N)N1C(=O)c2c(C1=O)cccc2

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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 C22H18N4O3S MW 418.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O3S/c1-30-11-10-18(26-21(28)13-6-2-3-7-14(13)22(26)29)19(27)15(12-23)20-24-16-8-4-5-9-17(16)25-20/h2-9,18,24-25H,10-11H2,1H3
InChIKey
LGWUIDQLDYFDQL-UHFFFAOYSA-N
Synonyms

2(13DIHYDRO2HBENZIMIDAZOL2YLIDENE)4(13DIOXO13DIHYDRO2HISOINDOL2YL)6(METHYLSULFANYL)3OXOHEXANENITRILE
2(13dihydrobenzimidazol2ylidene)4(13dioxoisoindol2yl)6methylsulfanyl3oxohexanenitrile
2(1Hbenzo(d)imidazol2(3H)ylidene)4(13dioxoisoindolin2yl)6(methylthio)3oxohexanenitrile
4(13DIOXOBENZO(C)AZOLIN2YL)2(3HYDROBENZIMIDAZOL2YLIDENE)6METHYLTHIO3OXOHEXANENITRILE
CSCCC(C(=O)C(=c1(nH)c2c((nH)1)cccc2)C#N)N1C(=O)c2c(C1=O)cccc2
CSCCC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)N3C(=O)C4=CC=CC=C4C3=O
InChI=1SC22H18N4O3Sc130111018(2621(28)13623714(13)22(26)29)19(27)15(1223)202416845917(16)2520h29182425H1011H21H3
MFCD02108257
STK036871
ZINC000006530989
ZINC000006530990

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Available files

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