Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(2-chlorobenzyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL433611
SMILES CCOC(=O)C1=C(CNCc2ccccc2Cl)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 C22H22ClN3O5 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O5/c1-2-29-21(27)19-16(11-24-10-14-5-3-4-6-15(14)23)25-22(28)26-20(19)13-7-8-17-18(9-13)31-12-30-17/h3-9,20,24H,2,10-12H2,1H3,(H2,25,26,28)InChIKey
GGXCXLFUDAFLPL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCC4=CC=CC=C4Cl
ethyl4(13benzodioxol5yl)6(((2chlorobenzyl)amino)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6(((2CHLOROPHENYL)METHYLAMINO)METHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H22ClN3O5c122921(27)1916(11241014534615(14)23)2522(28)2620(19)13781718(913)31123017h392024H21012H21H3(H2252628)
MFCD06166758
ZINC000020500249
ZINC000020500251
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