Vitas-M small molecule compound

ethyl 2-({[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK839686
SMILES CCOC(=O)c1c(NC(=S)NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C

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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 C26H25N3O5S2 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S2/c1-4-34-25(33)20-14(2)15(3)36-22(20)28-26(35)27-19(30)12-7-13-29-23(31)17-10-5-8-16-9-6-11-18(21(16)17)24(29)32/h5-6,8-11H,4,7,12-13H2,1-3H3,(H2,27,28,30,35)
InChIKey
FMOHZKLODCBTAO-UHFFFAOYSA-N
Synonyms
325743-71-3
325743713
CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
ethyl2(((4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoyl)carbamothioyl)amino)45dimethylthiophene3carboxylate
ETHYL2(3(4(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)BUTANOYL)THIOUREIDO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOYLCARBAMOTHIOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H25N3O5S2c143425(33)2014(2)15(3)3622(20)2826(35)2719(30)127132923(31)17105816961118(21(16)17)24(29)32h56811H471213H213H3(H227283035)
MFCD02280119
ZINC000009358200
ZINC09358200
ZINC9358200

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Available files

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