Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776056
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C(=O)OCC)NC(=O)NC1c1ccc2c(c1)OCO2
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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 C22H28N4O7 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O7/c1-3-30-20(27)18-15(12-25-7-9-26(10-8-25)22(29)31-4-2)23-21(28)24-19(18)14-5-6-16-17(11-14)33-13-32-16/h5-6,11,19H,3-4,7-10,12-13H2,1-2H3,(H2,23,24,28)InChIKey
HRIGAZQLFOAKGZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C(=O)OCC
ethyl4(13benzodioxol5yl)6((4(ethoxycarbonyl)piperazin1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((4ETHOXYCARBONYLPIPERAZIN1YL)METHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H28N4O7c133020(27)1815(12257926(10825)22(29)3142)2321(28)2419(18)14561617(1114)33133216h561119H347101213H212H3(H2232428)
MFCD05258444
ZINC000012412562
ZINC000012412563
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