Vitas-M small molecule compound
ethyl 6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027979
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2cc(Cl)ccc2C)NC(=O)NC1c1cccc(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 C25H28ClFN4O3 MW 486.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClFN4O3/c1-3-34-24(32)22-20(28-25(33)29-23(22)17-5-4-6-19(27)13-17)15-30-9-11-31(12-10-30)21-14-18(26)8-7-16(21)2/h4-8,13-14,23H,3,9-12,15H2,1-2H3,(H2,28,29,33)InChIKey
CXVKHRLJSGANQV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)F)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C
ethyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)4(3fluorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)4(3fluorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H28ClFN4O3c133424(32)2220(2825(33)2923(22)1754619(27)1317)153091131(121030)211418(26)8716(21)2h48131423H391215H212H3(H2282933)
MFCD18188570
ZINC000067689706
ZINC000067689707
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