Vitas-M small molecule compound

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

Catalog ID
STL107594
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)C)NC(=O)NC1c1ccc(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 C26H28F2N4O4 MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28F2N4O4/c1-3-36-25(34)23-22(29-26(35)30-24(23)18-6-9-20(27)21(28)14-18)15-31-10-12-32(13-11-31)19-7-4-17(5-8-19)16(2)33/h4-9,14,24H,3,10-13,15H2,1-2H3,(H2,29,30,35)
InChIKey
CJLBQLLGNHANNE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)F)F)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)C
ethyl6((4(4acetylphenyl)piperazin1yl)methyl)4(34difluorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(4acetylphenyl)piperazin1yl)methyl)4(34difluorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC26H28F2N4O4c133625(34)2322(2926(35)3024(23)186920(27)21(28)1418)1531101232(131131)197417(5819)16(2)33h491424H3101315H212H3(H2293035)
MFCD20741530
ZINC000067286089
ZINC000067286096

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Available files

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