Vitas-M small molecule compound
[4-hydroxy-6-(4-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](phenyl)methanone
Catalog ID
STL091046
SMILES COc1ccc(cc1)C1NC(=S)NC(C1C(=O)c1ccccc1)(O)C(F)(F)F
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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 C19H17F3N2O3S MW 410.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N2O3S/c1-27-13-9-7-11(8-10-13)15-14(16(25)12-5-3-2-4-6-12)18(26,19(20,21)22)24-17(28)23-15/h2-10,14-15,26H,1H3,(H2,23,24,28)InChIKey
HJJKDLIBRIGVBH-UHFFFAOYSA-NSynonyms
(4hydroxy6(4methoxyphenyl)2sulfanylidene4(trifluoromethyl)13diazinan5yl)phenylmethanone
(4hydroxy6(4methoxyphenyl)2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(phenyl)methanone
COC1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3
InChI=1SC19H17F3N2O3Sc127139711(81013)1514(16(25)125324612)18(2619(2021)22)2417(28)2315h210141526H1H3(H2232428)
MFCD02328052
ZINC000007986594
ZINC000245265723
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