Vitas-M small molecule compound

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

Catalog ID
STK806972
SMILES S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1ccc(cc1)C(=O)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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-18(32)19-8-10-21(11-9-19)28-27(35)30-15-12-29(13-16-30)14-17-31-25(33)22-6-2-4-20-5-3-7-23(24(20)22)26(31)34/h2-11H,12-17H2,1H3,(H,28,35)
InChIKey
XJUSKKMQUIJOAN-UHFFFAOYSA-N
Synonyms
496777-33-4
496777334
CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC27H26N4O3Sc118(32)1981021(11919)2827(35)30151229(131630)14173125(33)226242053723(24(20)22)26(31)34h211H1217H21H3(H2835)
MFCD03621350
N(4ACETYLPHENYL)4(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)1PIPERAZINECARBOTHIOAMIDE
N(4acetylphenyl)4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazine1carbothioamide
N(4ACETYLPHENYL)4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000020168772
ZINC20168772

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Available files

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