Vitas-M small molecule compound

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

Catalog ID
STL107887
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C)NC(=O)NC1c1ccc(cc1)OCC

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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 C21H30N4O4 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O4/c1-4-28-16-8-6-15(7-9-16)19-18(20(26)29-5-2)17(22-21(27)23-19)14-25-12-10-24(3)11-13-25/h6-9,19H,4-5,10-14H2,1-3H3,(H2,22,23,27)
InChIKey
CNGOSRARIPZKNX-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C)C(=O)OCC
ethyl4(4ethoxyphenyl)6((4methylpiperazin1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl4(4ethoxyphenyl)6((4methylpiperazin1yl)methyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H30N4O4c1428168615(7916)1918(20(26)2952)17(2221(27)2319)1425121024(3)111325h6919H451014H213H3(H2222327)
MFCD20741793
ZINC000067287687
ZINC000067287690

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Available files

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