Vitas-M small molecule compound

2-methylpropyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK014737
SMILES COc1cc(cc(c1O)Br)C1NC(=O)N(C(=C1C(=O)OCC(C)C)C)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 C18H23BrN2O5 MW 427.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN2O5/c1-9(2)8-26-17(23)14-10(3)21(4)18(24)20-15(14)11-6-12(19)16(22)13(7-11)25-5/h6-7,9,15,22H,8H2,1-5H3,(H,20,24)
InChIKey
CICKAZYHTFIMRA-UHFFFAOYSA-N
Synonyms

2methylpropyl4(3bromo4hydroxy5methoxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
2METHYLPROPYL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
2METHYLPROPYL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC(C)C
COc1cc(cc(c1O)Br)C1NC(=O)N(C(=C1C(=O)OCC(C)C)C)C
InChI=1SC18H23BrN2O5c19(2)82617(23)1410(3)21(4)18(24)2015(14)11612(19)16(22)13(711)255h6791522H8H215H3(H2024)
MFCD00718243
STK014737
ZINC000000821060
ZINC000000821061

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Available files

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