Vitas-M small molecule compound
methyl 6-{[4-(2-ethoxyphenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL028056
SMILES CCOc1ccccc1N1CCN(CC1)CC1=C(C(=O)OC)C(NC(=O)N1)c1cccs1
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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 C23H28N4O4S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S/c1-3-31-18-8-5-4-7-17(18)27-12-10-26(11-13-27)15-16-20(22(28)30-2)21(25-23(29)24-16)19-9-6-14-32-19/h4-9,14,21H,3,10-13,15H2,1-2H3,(H2,24,25,29)InChIKey
QWBJOXXKLRQHHG-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C(NC(=O)N3)C4=CC=CS4)C(=O)OC
InChI=1SC23H28N4O4Sc133118854717(18)27121026(111327)151620(22(28)302)21(2523(29)2416)1996143219h491421H3101315H212H3(H2242529)
methyl6((4(2ethoxyphenyl)piperazin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
methyl6((4(2ethoxyphenyl)piperazin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
MFCD18188647
ZINC000057415967
ZINC000057415970
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