Vitas-M small molecule compound

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

Catalog ID
STK986919
SMILES CCCN1CCN(CC1)CC1=C(C(=O)OCC)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 C22H32N4O3 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O3/c1-4-10-25-11-13-26(14-12-25)15-18-19(21(27)29-5-2)20(24-22(28)23-18)17-8-6-16(3)7-9-17/h6-9,20H,4-5,10-15H2,1-3H3,(H2,23,24,28)
InChIKey
ZPGFYUBLBQRCQB-UHFFFAOYSA-N
Synonyms

CCCN1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)C)C(=O)OCC
ethyl4(4methylphenyl)2oxo6((4propylpiperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ethyl4(4methylphenyl)2oxo6((4propylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC22H32N4O3c141025111326(141225)151819(21(27)2952)20(2422(28)2318)178616(3)7917h6920H451015H213H3(H2232428)
MFCD18183787
ZINC000051318480
ZINC000051318481

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Available files

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