Vitas-M small molecule compound

methyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK327003
SMILES COC(=O)C1=C(C)NC(=O)NC1c1cc(O)ccc1Br

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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 C13H13BrN2O4 MW 341.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2O4/c1-6-10(12(18)20-2)11(16-13(19)15-6)8-5-7(17)3-4-9(8)14/h3-5,11,17H,1-2H3,(H2,15,16,19)
InChIKey
JOMCLMHCMGITIO-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)O)Br)C(=O)OC
InChI=1SC13H13BrN2O4c1610(12(18)202)11(1613(19)156)857(17)349(8)14h351117H12H3(H2151619)
methyl4(2bromo5hydroxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
METHYL4(2BROMO5HYDROXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD02376497
ZINC000000457894
ZINC000000457895

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Available files

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