Vitas-M small molecule compound
1-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-1-phenyl-2-thioxo-1,2-dihydropyrimidin-5-yl}ethanone
Catalog ID
STK666892
SMILES CC(=O)c1c(nc(=S)n(c1C)c1ccccc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-17-23(18(2)30)24(26-25(33)29(17)20-6-4-3-5-7-20)28-12-10-27(11-13-28)15-19-8-9-21-22(14-19)32-16-31-21/h3-9,14H,10-13,15-16H2,1-2H3InChIKey
WEZXLPMBADUXLF-UHFFFAOYSA-NSynonyms
1(4(4(13BENZODIOXOL5YLMETHYL)1PIPERAZINYL)6METHYL1PHENYL2THIOXO12DIHYDRO5PYRIMIDINYL)ETHANONE
1(4(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)6METHYL1PHENYL2SULFANYLIDENEPYRIMIDIN5YL)ETHANONE
1(4(4(13benzodioxol5ylmethyl)piperazin1yl)6methyl1phenyl2thioxo12dihydropyrimidin5yl)ethanone
1(4(4(BENZO(D)(13)DIOXOL5YLMETHYL)PIPERAZIN1YL)6METHYL1PHENYL2THIOXO12DIHYDROPYRIMIDIN5YL)ETHANONE
5ACETYL6(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)4METHYL3PHENYL2THIOXO3HYDROPYRIMIDINE
CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)C
InChI=1SC25H26N4O3Sc11723(18(2)30)24(2625(33)29(17)206435720)28121027(111328)1519892122(1419)32163121h3914H10131516H212H3
MFCD03612743
ZINC000001080914
ZINC1080914
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.