Vitas-M small molecule compound

2-{[5-(butan-2-yl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

Catalog ID
STK525469
SMILES CCC(c1c(O)nc([nH]c1=O)SCC(=O)Nc1ccccc1OC)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 C17H21N3O4S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O4S/c1-4-10(2)14-15(22)19-17(20-16(14)23)25-9-13(21)18-11-7-5-6-8-12(11)24-3/h5-8,10H,4,9H2,1-3H3,(H,18,21)(H2,19,20,22,23)
InChIKey
QVUNEIQCRABDCI-UHFFFAOYSA-N
Synonyms

2((4HYDROXY5(1METHYLPROPYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
2((5(butan2yl)4hydroxy6oxo16dihydropyrimidin2yl)sulfanyl)N(2methoxyphenyl)acetamide
2((5(secbutyl)4hydroxy6oxo16dihydropyrimidin2yl)thio)N(2methoxyphenyl)acetamide
2((5BUTAN2YL4HYDROXY6OXO1HPYRIMIDIN2YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
CCC(C)C1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2OC)O
CCC(c1c(O)nc((nH)c1=O)SCC(=O)Nc1ccccc1OC)C
InChI=1SC17H21N3O4Sc1410(2)1415(22)1917(2016(14)23)25913(21)1811756812(11)243h5810H49H213H3(H1821)(H219202223)
MFCD02164815
ZINC000009310870
ZINC000012436706

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Available files

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