Vitas-M small molecule compound

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

Catalog ID
STL181613
SMILES CCOc1cc(C2NC(=O)NC(=C2C(=O)OC)C)c(c(c1O)Br)Cl

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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 C15H16BrClN2O5 MW 419.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16BrClN2O5/c1-4-24-8-5-7(11(17)10(16)13(8)20)12-9(14(21)23-3)6(2)18-15(22)19-12/h5,12,20H,4H2,1-3H3,(H2,18,19,22)
InChIKey
MJPAVOPJXLLYDG-UHFFFAOYSA-N
Synonyms

CCOC1=C(C(=C(C(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC)Cl)Br)O
InChI=1SC15H16BrClN2O5c1424857(11(17)10(16)13(8)20)129(14(21)233)6(2)1815(22)1912h51220H4H213H3(H2181922)
methyl4(3bromo2chloro5ethoxy4hydroxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
METHYL4(3BROMO2CHLORO5ETHOXY4HYDROXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD05996137
ZINC000001126977
ZINC000001126979

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Available files

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