Vitas-M small molecule compound
methyl 6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL028048
SMILES COC(=O)C1=C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)NC(=O)NC1c1cccs1
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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 C23H26N4O5S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5S/c1-30-22(28)20-16(24-23(29)25-21(20)19-3-2-10-33-19)13-27-8-6-26(7-9-27)12-15-4-5-17-18(11-15)32-14-31-17/h2-5,10-11,21H,6-9,12-14H2,1H3,(H2,24,25,29)InChIKey
DTXSPFSQBCCUEH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC23H26N4O5Sc13022(28)2016(2423(29)2521(20)1932103319)13278626(7927)1215451718(1115)32143117h25101121H691214H21H3(H2242529)
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
methyl6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
MFCD18188639
ZINC000057415921
ZINC000057415924
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