Vitas-M small molecule compound
N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
Catalog ID
STK806860
SMILES Clc1ccc(c(c1)F)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 C25H22ClFN4O2S MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN4O2S/c26-17-7-8-21(20(27)15-17)28-25(34)30-12-9-29(10-13-30)11-14-31-23(32)18-5-1-3-16-4-2-6-19(22(16)18)24(31)33/h1-8,15H,9-14H2,(H,28,34)InChIKey
MFOICFZGJJNOPJ-UHFFFAOYSA-NSynonyms
327093-20-9327093209
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=C(C=C(C=C5)Cl)F
InChI=1SC25H22ClFN4O2Sc26177821(20(27)1517)2825(34)3012929(101330)11143123(32)185131642619(22(16)18)24(31)33h1815H914H2(H2834)
MFCD02659537
N(4chloro2fluorophenyl)4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazine1carbothioamide
N(4CHLORO2FLUOROPHENYL)4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000020130801
ZINC20130801
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