Vitas-M small molecule compound
[6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](thiophen-2-yl)methanone
Catalog ID
STL091059
SMILES S=C1NC(c2ccc(c(c2)O)O)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 C16H13F3N2O4S2 MW 418.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N2O4S2/c17-16(18,19)15(25)11(13(24)10-2-1-5-27-10)12(20-14(26)21-15)7-3-4-8(22)9(23)6-7/h1-6,11-12,22-23,25H,(H2,20,21,26)InChIKey
NPWJRDXXBDLFEB-UHFFFAOYSA-NSynonyms
(6(34dihydroxyphenyl)4hydroxy2sulfanylidene4(trifluoromethyl)13diazinan5yl)thiophen2ylmethanone
(6(34dihydroxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(thiophen2yl)methanone
C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC(=C(C=C3)O)O
InChI=1SC16H13F3N2O4S2c1716(1819)15(25)11(13(24)102152710)12(2014(26)2115)7348(22)9(23)67h161112222325H(H2202126)
MFCD18204569
ZINC000057531384
ZINC000226355877
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