Vitas-M small molecule compound

2-{2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK531179
SMILES O=C(c1ccc2c(c1)OCO2)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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c30-24(18-7-8-21-22(15-18)34-16-33-21)28-12-9-27(10-13-28)11-14-29-25(31)19-5-1-3-17-4-2-6-20(23(17)19)26(29)32/h1-8,15H,9-14,16H2
InChIKey
YDMZSUSXOKZDEN-UHFFFAOYSA-N
Synonyms
325694-78-8
2(2(4(13BENZODIOXOL5YLCARBONYL)1PIPERAZINYL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(2(4(13benzodioxol5ylcarbonyl)piperazin1yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(4(13BENZODIOXOLE5CARBONYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(4(BENZO(13)DIOXOLE5CARBONYL)PIPERAZIN1YL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
2(2(4(BENZO(D)(13)DIOXOLE5CARBONYL)PIPERAZIN1YL)ETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
325694788
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=C5)OCO6
InChI=1SC26H23N3O5c3024(18782122(1518)34163321)2812927(101328)11142925(31)195131742620(23(17)19)26(29)32h1815H91416H2
MFCD01943956
ZINC000054281453
ZINC54281453

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Available files

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