Vitas-M small molecule compound
[6-(3,4-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](phenyl)methanone
Catalog ID
STL091048
SMILES COc1cc(ccc1OC)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 C20H19F3N2O4S MW 440.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N2O4S/c1-28-13-9-8-12(10-14(13)29-2)16-15(17(26)11-6-4-3-5-7-11)19(27,20(21,22)23)25-18(30)24-16/h3-10,15-16,27H,1-2H3,(H2,24,25,30)InChIKey
BZYJITTWENPWEU-UHFFFAOYSA-NSynonyms
(6(34dimethoxyphenyl)4hydroxy2sulfanylidene4(trifluoromethyl)13diazinan5yl)phenylmethanone
(6(34dimethoxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(phenyl)methanone
COC1=C(C=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3)OC
InChI=1SC20H19F3N2O4Sc128139812(1014(13)292)1615(17(26)116435711)19(2720(2122)23)2518(30)2416h310151627H12H3(H2242530)
MFCD02328053
ZINC000057531371
ZINC000245245210
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