Vitas-M small molecule compound

methyl 4-({[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK774932
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc(C)c(c(n1)O)C

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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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-9-10(2)17-16(19-14(9)21)24-8-13(20)18-12-6-4-11(5-7-12)15(22)23-3/h4-7H,8H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKey
LFTQIGHUIPTOOZ-UHFFFAOYSA-N
Synonyms
672341-84-3
methyl4((((4hydroxy56dimethylpyrimidin2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((56DIMETHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((45DIMETHYL6OXO16DIHYDROPYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
methyl4(2((4hydroxy56dimethylpyrimidin2yl)thio)acetamido)benzoate
MFCD04061603
ZINC000013479806
ZINC13479806

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.