Vitas-M small molecule compound
ethyl 4-(3-fluorophenyl)-2-oxo-6-{[4-(prop-2-en-1-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107809
SMILES C=CCN1CCN(CC1)CC1=C(C(=O)OCC)C(NC(=O)N1)c1cccc(c1)F
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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 C21H27FN4O3 MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN4O3/c1-3-8-25-9-11-26(12-10-25)14-17-18(20(27)29-4-2)19(24-21(28)23-17)15-6-5-7-16(22)13-15/h3,5-7,13,19H,1,4,8-12,14H2,2H3,(H2,23,24,28)InChIKey
RUNOYUHBKJLBAG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)F)CN3CCN(CC3)CC=C
ethyl4(3fluorophenyl)2oxo6((4(prop2en1yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ethyl4(3fluorophenyl)2oxo6((4prop2enylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H27FN4O3c1382591126(121025)141718(20(27)2942)19(2421(28)2317)1565716(22)1315h3571319H1481214H22H3(H2232428)
MFCD20741730
ZINC000067287285
ZINC000067287286
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