Vitas-M small molecule compound

methyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL027900
SMILES CCOc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CN1CCC(CC1)Cc1ccccc1

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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 C27H33N3O4 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4/c1-3-34-22-11-9-21(10-12-22)25-24(26(31)33-2)23(28-27(32)29-25)18-30-15-13-20(14-16-30)17-19-7-5-4-6-8-19/h4-12,20,25H,3,13-18H2,1-2H3,(H2,28,29,32)
InChIKey
HGRIDEDEGGMPFX-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OC
InChI=1SC27H33N3O4c13342211921(101222)2524(26(31)332)23(2827(32)2925)1830151320(141630)17197546819h4122025H31318H212H3(H2282932)
methyl6((4benzylpiperidin1yl)methyl)4(4ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4benzylpiperidin1yl)methyl)4(4ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188491
ZINC000057415329
ZINC000057415333

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Available files

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