Vitas-M small molecule compound

ethyl 2-oxo-4-phenyl-6-{[4-(prop-2-en-1-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL107920
SMILES C=CCN1CCN(CC1)CC1=C(C(=O)OCC)C(NC(=O)N1)c1ccccc1

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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 C21H28N4O3 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3/c1-3-10-24-11-13-25(14-12-24)15-17-18(20(26)28-4-2)19(23-21(27)22-17)16-8-6-5-7-9-16/h3,5-9,19H,1,4,10-15H2,2H3,(H2,22,23,27)
InChIKey
MDJJDNHCCYTCEW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC=C
ethyl2oxo4phenyl6((4(prop2en1yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ethyl2oxo4phenyl6((4prop2enylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H28N4O3c131024111325(141224)151718(20(26)2842)19(2321(27)2217)168657916h35919H141015H22H3(H2222327)
MFCD20741809
ZINC000067287784
ZINC000067287789

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Available files

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