Vitas-M small molecule compound

2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK364024
SMILES COCCOC(=O)C1=C(C)NC(=O)NC1c1cc2OCOc2cc1Br

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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 C16H17BrN2O6 MW 413.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O6/c1-8-13(15(20)23-4-3-22-2)14(19-16(21)18-8)9-5-11-12(6-10(9)17)25-7-24-11/h5-6,14H,3-4,7H2,1-2H3,(H2,18,19,21)
InChIKey
YVHDBQAWFQEISR-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(6bromo13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2METHOXYETHYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCOC
InChI=1SC16H17BrN2O6c1813(15(20)2343222)14(1916(21)188)951112(610(9)17)2572411h5614H347H212H3(H2181921)
MFCD00381771
ZINC000004017101
ZINC000004017102

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Available files

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