Vitas-M small molecule compound
ethyl 4-hydroxy-6-(2-methoxynaphthalen-1-yl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
Catalog ID
STL091037
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(F)(F)F)c1c(OC)ccc2c1cccc2
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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 C19H19F3N2O4S MW 428.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N2O4S/c1-3-28-16(25)14-15(23-17(29)24-18(14,26)19(20,21)22)13-11-7-5-4-6-10(11)8-9-12(13)27-2/h4-9,14-15,26H,3H2,1-2H3,(H2,23,24,29)InChIKey
SAOWSHFBPDQXGO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=C(C=CC3=CC=CC=C32)OC
ethyl4hydroxy6(2methoxynaphthalen1yl)2sulfanylidene4(trifluoromethyl)13diazinane5carboxylate
ethyl4hydroxy6(2methoxynaphthalen1yl)2thioxo4(trifluoromethyl)hexahydropyrimidine5carboxylate
InChI=1SC19H19F3N2O4Sc132816(25)1415(2317(29)2418(1426)19(2021)22)1311754610(11)8912(13)272h49141526H3H212H3(H2232429)
MFCD02730855
ZINC000057531347
ZINC000106213756
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