Vitas-M small molecule compound
cyclooctyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK363894
SMILES O=C1NC(=C(C(N1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCCC1)C
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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 C21H25BrN2O5 MW 465.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O5/c1-12-18(20(25)29-13-7-5-3-2-4-6-8-13)19(24-21(26)23-12)14-9-16-17(10-15(14)22)28-11-27-16/h9-10,13,19H,2-8,11H2,1H3,(H2,23,24,26)InChIKey
UWMCYQYIWOUZEG-UHFFFAOYSA-NSynonyms
295344-36-4295344364
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCCC4
CYCLOOCTYL4(2BROMO45METHYLENEDIOXYPHENYL)34DIHYDRO6METHYL2(1H)OXOPYRIMIDINE5CARBOXYLATE
cyclooctyl4(6bromo13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOOCTYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC21H25BrN2O5c11218(20(25)2913753246813)19(2421(26)2312)1491617(1015(14)22)28112716h9101319H2811H21H3(H2232426)
MFCD00334887
ZINC000000823522
ZINC000000823523
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