Vitas-M small molecule compound
ethyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107953
SMILES CCOC(=O)C1CCCN(C1)CC1=C(C(=O)OCC)C(NC(=O)N1)c1cccs1
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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 C20H27N3O5S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O5S/c1-3-27-18(24)13-7-5-9-23(11-13)12-14-16(19(25)28-4-2)17(22-20(26)21-14)15-8-6-10-29-15/h6,8,10,13,17H,3-5,7,9,11-12H2,1-2H3,(H2,21,22,26)InChIKey
HKCJRPFCPMZEOK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OCC
ethyl6((3(ethoxycarbonyl)piperidin1yl)methyl)2oxo4(thiophen2yl)1234tetrahydropyrimidine5carboxylate
ethyl6((3ethoxycarbonylpiperidin1yl)methyl)2oxo4thiophen2yl34dihydro1Hpyrimidine5carboxylate
InChI=1SC20H27N3O5Sc132718(24)1375923(1113)121416(19(25)2842)17(2220(26)2114)1586102915h68101317H35791112H212H3(H2212226)
MFCD20741832
ZINC000027343764
ZINC000067287924
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