Vitas-M small molecule compound
ethyl 4-(3,4-difluorophenyl)-2-oxo-6-{[4-(prop-2-en-1-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107600
SMILES C=CCN1CCN(CC1)CC1=C(C(=O)OCC)C(NC(=O)N1)c1ccc(c(c1)F)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 C21H26F2N4O3 MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26F2N4O3/c1-3-7-26-8-10-27(11-9-26)13-17-18(20(28)30-4-2)19(25-21(29)24-17)14-5-6-15(22)16(23)12-14/h3,5-6,12,19H,1,4,7-11,13H2,2H3,(H2,24,25,29)InChIKey
VURQFHYWKPVEOH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)F)F)CN3CCN(CC3)CC=C
ethyl4(34difluorophenyl)2oxo6((4(prop2en1yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ethyl4(34difluorophenyl)2oxo6((4prop2enylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H26F2N4O3c1372681027(11926)131718(20(28)3042)19(2521(29)2417)145615(22)16(23)1214h3561219H1471113H22H3(H2242529)
MFCD20741536
ZINC000067286126
ZINC000067286130
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