Vitas-M small molecule compound
1-{6-methyl-4-[2-(propan-2-yloxy)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl}ethanone
Catalog ID
STL171894
SMILES CC(Oc1ccccc1C1NC(=S)NC(=C1C(=O)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 C16H20N2O2S MW 304.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2S/c1-9(2)20-13-8-6-5-7-12(13)15-14(11(4)19)10(3)17-16(21)18-15/h5-9,15H,1-4H3,(H2,17,18,21)InChIKey
MWVWXYADAVZWHL-UHFFFAOYSA-NSynonyms
1(6methyl4(2(propan2yloxy)phenyl)2thioxo1234tetrahydropyrimidin5yl)ethanone
1(6METHYL4(2PROPAN2YLOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN5YL)ETHANONE
CC1=C(C(NC(=S)N1)C2=CC=CC=C2OC(C)C)C(=O)C
InChI=1SC16H20N2O2Sc19(2)2013865712(13)1514(11(4)19)10(3)1716(21)1815h5915H14H3(H2171821)
MFCD03720048
ZINC000006884152
ZINC000006884157
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