Vitas-M small molecule compound
prop-2-en-1-yl 6-methyl-4-(4-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812106
SMILES CCCOc1ccc(cc1)C1NC(=S)NC(=C1C(=O)OCC=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 C18H22N2O3S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S/c1-4-10-22-14-8-6-13(7-9-14)16-15(17(21)23-11-5-2)12(3)19-18(24)20-16/h5-9,16H,2,4,10-11H2,1,3H3,(H2,19,20,24)InChIKey
KOFWZWBMPPMJPC-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC=C
InChI=1SC18H22N2O3Sc141022148613(7914)1615(17(21)231152)12(3)1918(24)2016h5916H241011H213H3(H2192024)
MFCD04445786
prop2en1yl6methyl4(4propoxyphenyl)2thioxo1234tetrahydropyrimidine5carboxylate
PROP2ENYL6METHYL4(4PROPOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ZINC000016805183
ZINC000016805185
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