Vitas-M small molecule compound

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

Catalog ID
STK841280
SMILES Clc1ccc(cc1)NC(=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 C25H23ClN4O2S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O2S/c26-18-7-9-19(10-8-18)27-25(33)29-14-11-28(12-15-29)13-16-30-23(31)20-5-1-3-17-4-2-6-21(22(17)20)24(30)32/h1-10H,11-16H2,(H,27,33)
InChIKey
RQFVTXRVQRPPNA-UHFFFAOYSA-N
Synonyms
327093-43-6
327093436
4(2(13BIS(OXIDANYLIDENE)BENZO(DE)ISOQUINOLIN2YL)ETHYL)N(4CHLOROPHENYL)PIPERAZINE1CARBOTHIOAMIDE
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=C(C=C5)Cl
InChI=1SC25H23ClN4O2Sc26187919(10818)2725(33)29141128(121529)13163023(31)205131742621(22(17)20)24(30)32h110H1116H2(H2733)
MFCD02659550
N(4CHLOROPHENYL)4(2(13DIKETOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
N(4CHLOROPHENYL)4(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)1PIPERAZINECARBOTHIOAMIDE
N(4chlorophenyl)4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazine1carbothioamide
N(4CHLOROPHENYL)4(2(13DIOXO2BENZO(DE)ISOQUINOLINYL)ETHYL)1PIPERAZINECARBOTHIOAMIDE
N(4CHLOROPHENYL)4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000019867546
ZINC19867546

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Available files

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