Vitas-M small molecule compound
ethyl 6-(azepan-1-ylmethyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107955
SMILES CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1cccs1
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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 C18H25N3O3S MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O3S/c1-2-24-17(22)15-13(12-21-9-5-3-4-6-10-21)19-18(23)20-16(15)14-8-7-11-25-14/h7-8,11,16H,2-6,9-10,12H2,1H3,(H2,19,20,23)InChIKey
DJGQWHCKPGZPJW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCCCCC3
ethyl6(azepan1ylmethyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
ethyl6(azepan1ylmethyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
InChI=1SC18H25N3O3Sc122417(22)1513(1221953461021)1918(23)2016(15)1487112514h781116H2691012H21H3(H2192023)
MFCD20741833
ZINC000027269487
ZINC000027269493
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