Vitas-M small molecule compound
methyl 4-({[(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK772622
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc(C)c(c(n1)O)CC
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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 C17H19N3O4S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4S/c1-4-13-10(2)18-17(20-15(13)22)25-9-14(21)19-12-7-5-11(6-8-12)16(23)24-3/h5-8H,4,9H2,1-3H3,(H,19,21)(H,18,20,22)InChIKey
XBHGJZMBZYNPAV-UHFFFAOYSA-NSynonyms
552309-74-7CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C
InChI=1SC17H19N3O4Sc141310(2)1817(2015(13)22)25914(21)19127511(6812)16(23)243h58H49H213H3(H1921)(H182022)
methyl4((((5ethyl4hydroxy6methylpyrimidin2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5ETHYL6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((5ethyl4hydroxy6methylpyrimidin2yl)thio)acetamido)benzoate
METHYL4(2((5ETHYL4METHYL6OXO16DIHYDROPYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
MFCD03278984
ZINC000013465053
ZINC13465053
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