Vitas-M small molecule compound
ethyl 4-hydroxy-6-(4-hydroxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091023
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1ccc(cc1)O
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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 C14H15F3N2O4S MW 364.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F3N2O4S/c1-2-23-11(21)9-10(7-3-5-8(20)6-4-7)18-12(24)19-13(9,22)14(15,16)17/h3-6,9-10,20,22H,2H2,1H3,(H2,18,19,24)InChIKey
SHKYBLIFFGZZFI-UHFFFAOYSA-NSynonyms
317330-62-4317330624
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)O
ETHYL(4R5S6R)4HYDROXY6(4HYDROXYPHENYL)2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDINE5CARBOXYLATE
ETHYL4HYDROXY6(4HYDROXYPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINANE5CARBOXYLATE
ethyl4hydroxy6(4hydroxyphenyl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC14H15F3N2O4Sc122311(21)910(7358(20)647)1812(24)1913(922)14(1516)17h369102022H2H21H3(H2181924)
MFCD02328031
ZINC000001317684
ZINC000011691749
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