Vitas-M small molecule compound

methyl 6-{[3-(ethoxycarbonyl)piperidin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK986858
SMILES CCOC(=O)C1CCCN(C1)CC1=C(C(=O)OC)C(NC(=O)N1)c1ccc(cc1)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 C22H29N3O5 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5/c1-4-30-20(26)16-6-5-11-25(12-16)13-17-18(21(27)29-3)19(24-22(28)23-17)15-9-7-14(2)8-10-15/h7-10,16,19H,4-6,11-13H2,1-3H3,(H2,23,24,28)
InChIKey
UILJAMLNYWBFCL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)C)C(=O)OC
InChI=1SC22H29N3O5c143020(26)16651125(1216)131718(21(27)293)19(2422(28)2317)159714(2)81015h7101619H461113H213H3(H2232428)
methyl6((3(ethoxycarbonyl)piperidin1yl)methyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((3ethoxycarbonylpiperidin1yl)methyl)4(4methylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18183747
ZINC000051318322
ZINC000226264232

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Available files

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