Vitas-M small molecule compound

4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-ethylpiperazine-1-carbothioamide

Catalog ID
STK806978
SMILES CCNC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-2-22-21(28)24-12-9-23(10-13-24)11-14-25-19(26)16-7-3-5-15-6-4-8-17(18(15)16)20(25)27/h3-8H,2,9-14H2,1H3,(H,22,28)
InChIKey
LQVUICBIYAIMCC-UHFFFAOYSA-N
Synonyms
496777-26-5
4(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)NETHYL1PIPERAZINECARBOTHIOAMIDE
4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)Nethylpiperazine1carbothioamide
4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)NETHYLPIPERAZINE1CARBOTHIOAMIDE
496777265
CCNC(=S)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI=1SC21H24N4O2Sc122221(28)2412923(101324)11142519(26)167351564817(18(15)16)20(25)27h38H2914H21H3(H2228)
MFCD03621343
ZINC000013521622
ZINC13521622

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Available files

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