Vitas-M small molecule compound
[6-(4-bromophenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](thiophen-2-yl)methanone
Catalog ID
STL091056
SMILES S=C1NC(c2ccc(cc2)Br)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 C16H12BrF3N2O2S2 MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrF3N2O2S2/c17-9-5-3-8(4-6-9)12-11(13(23)10-2-1-7-26-10)15(24,16(18,19)20)22-14(25)21-12/h1-7,11-12,24H,(H2,21,22,25)InChIKey
FOHCEMWNWDBGGA-UHFFFAOYSA-NSynonyms
((4R5R6S)6(4BROMOPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN5YL)(THIOPHEN2YL)METHANONE
(6(4BROMOPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINAN5YL)THIOPHEN2YLMETHANONE
(6(4BROMOPHENYL)4HYDROXY2THIOXO4(TRIFLUOROMETHYL)HEXAHYDROPYRIMIDIN5YL)(THIEN2YL)METHANONE
(6(4bromophenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(thiophen2yl)methanone
C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC=C(C=C3)Br
InChI=1SC16H12BrF3N2O2S2c179538(469)1211(13(23)102172610)15(2416(1819)20)2214(25)2112h17111224H(H2212225)
MFCD02167286
ZINC000000943993
ZINC000169294123
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