Vitas-M small molecule compound
{6-[4-(dimethylamino)phenyl]-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl}(thiophen-2-yl)methanone
Catalog ID
STL091065
SMILES S=C1NC(c2ccc(cc2)N(C)C)C(C(N1)(O)C(F)(F)F)C(=O)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 C18H18F3N3O2S2 MW 429.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N3O2S2/c1-24(2)11-7-5-10(6-8-11)14-13(15(25)12-4-3-9-28-12)17(26,18(19,20)21)23-16(27)22-14/h3-9,13-14,26H,1-2H3,(H2,22,23,27)InChIKey
OPRNKVGFEOBUFJ-UHFFFAOYSA-NSynonyms
(6(4(dimethylamino)phenyl)4hydroxy2sulfanylidene4(trifluoromethyl)13diazinan5yl)thiophen2ylmethanone
(6(4(dimethylamino)phenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(thiophen2yl)methanone
(6(4DIMETHYLAMINOPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINAN5YL)THIOPHEN2YLMETHANONE
CN(C)C1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
InChI=1SC18H18F3N3O2S2c124(2)117510(6811)1413(15(25)124392812)17(2618(1920)21)2316(27)2214h39131426H12H3(H2222327)
MFCD02167283
ZINC000006160675
ZINC000102912137
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