Vitas-M small molecule compound

methyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL091467
SMILES COC(=O)C1=C(CN2CCN(CC2)c2cc(C)ccc2C)NC(=O)NC1c1ccc(cc1)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 C25H29FN4O3 MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN4O3/c1-16-4-5-17(2)21(14-16)30-12-10-29(11-13-30)15-20-22(24(31)33-3)23(28-25(32)27-20)18-6-8-19(26)9-7-18/h4-9,14,23H,10-13,15H2,1-3H3,(H2,27,28,32)
InChIKey
KONPBOPQVGIGQX-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=C(C(NC(=O)N3)C4=CC=C(C=C4)F)C(=O)OC
InChI=1SC25H29FN4O3c1164517(2)21(1416)30121029(111330)152022(24(31)333)23(2825(32)2720)186819(26)9718h491423H101315H213H3(H2272832)
methyl6((4(25dimethylphenyl)piperazin1yl)methyl)4(4fluorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(25dimethylphenyl)piperazin1yl)methyl)4(4fluorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18785913
ZINC000067204855
ZINC000067204858

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Available files

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