Vitas-M small molecule compound
(2E)-but-2-en-1-yl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK402441
SMILES CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OC/C=C/C)C
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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 C18H22N2O5 MW 346.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5/c1-4-6-9-25-17(22)15-11(3)19-18(23)20-16(15)12-7-8-13(21)14(10-12)24-5-2/h4,6-8,10,16,21H,5,9H2,1-3H3,(H2,19,20,23)/b6-4+InChIKey
XHIRDPCJQPPBDM-GQCTYLIASA-NSynonyms
((E)BUT2ENYL)4(3ETHOXY4HYDROXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
(2E)but2en1yl4(3ethoxy4hydroxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC=CC)O
CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OCC=CC)C
InChI=1SC18H22N2O5c14692517(22)1511(3)1918(23)2016(15)127813(21)14(1012)2452h468101621H59H213H3(H2192023)b64+
MFCD01193729
ZINC000012411470
ZINC000012411471
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