Vitas-M small molecule compound
2,2,3,3,3-pentafluoropropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK371900
SMILES COc1ccc(cc1C1NC(=S)NC(=C1C(=O)OCC(C(F)(F)F)(F)F)C)OC
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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 C17H17F5N2O4S MW 440.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F5N2O4S/c1-8-12(14(25)28-7-16(18,19)17(20,21)22)13(24-15(29)23-8)10-6-9(26-2)4-5-11(10)27-3/h4-6,13H,7H2,1-3H3,(H2,23,24,29)InChIKey
XAXOLWJTCYMICD-UHFFFAOYSA-NSynonyms
22333pentafluoropropyl4(25dimethoxyphenyl)6methyl2sulfanylidene34dihydro1Hpyrimidine5carboxylate
22333pentafluoropropyl4(25dimethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC(C(F)(F)F)(F)F
InChI=1SC17H17F5N2O4Sc1812(14(25)28716(1819)17(2021)22)13(2415(29)238)1069(262)4511(10)273h4613H7H213H3(H2232429)
MFCD00619610
ZINC000004083996
ZINC000004083998
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