Vitas-M small molecule compound
[6-(3,4-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](thiophen-2-yl)methanone
Catalog ID
STL091061
SMILES COc1cc(ccc1OC)C1NC(=S)NC(C1C(=O)c1cccs1)(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 C18H17F3N2O4S2 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O4S2/c1-26-10-6-5-9(8-11(10)27-2)14-13(15(24)12-4-3-7-29-12)17(25,18(19,20)21)23-16(28)22-14/h3-8,13-14,25H,1-2H3,(H2,22,23,28)InChIKey
IANOFGIXLFMBEJ-UHFFFAOYSA-NSynonyms
(6(34DIMETHOXYPHENYL)4HYDROXY2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINAN5YL)THIOPHEN2YLMETHANONE
(6(34dimethoxyphenyl)4hydroxy2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(thiophen2yl)methanone
COC1=C(C=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)OC
InChI=1SC18H17F3N2O4S2c12610659(811(10)272)1413(15(24)124372912)17(2518(1920)21)2316(28)2214h38131425H12H3(H2222328)
MFCD02167279
ZINC000009833274
ZINC000238900226
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