Vitas-M small molecule compound
2-(methylsulfanyl)ethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK042139
SMILES CSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(c(c1)OC)O
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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 C16H19ClN2O5S MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN2O5S/c1-8-12(15(21)24-4-5-25-3)13(19-16(22)18-8)9-6-10(17)14(20)11(7-9)23-2/h6-7,13,20H,4-5H2,1-3H3,(H2,18,19,22)InChIKey
CWAHXMHHBXQGKA-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)ethyl4(3chloro4hydroxy5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2METHYLSULFANYLETHYL4(3CHLORO4HYDROXY5METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2METHYLTHIOETHYL6(3CHLORO4HYDROXY5METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OCCSC
CSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(c(c1)OC)O
InChI=1SC16H19ClN2O5Sc1812(15(21)2445253)13(1916(22)188)9610(17)14(20)11(79)232h671320H45H213H3(H2181922)
MFCD01193180
STK042139
ZINC000004142354
ZINC000004142359
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