Vitas-M small molecule compound

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

Catalog ID
STL073249
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)F)NC(=O)NC1c1ccc(cc1)OC

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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 C25H29FN4O4 MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN4O4/c1-3-34-24(31)22-21(27-25(32)28-23(22)17-4-10-20(33-2)11-5-17)16-29-12-14-30(15-13-29)19-8-6-18(26)7-9-19/h4-11,23H,3,12-16H2,1-2H3,(H2,27,28,32)
InChIKey
ILBNYDAHHJPHDF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)F
ethyl6((4(4fluorophenyl)piperazin1yl)methyl)4(4methoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(4fluorophenyl)piperazin1yl)methyl)4(4methoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H29FN4O4c133424(31)2221(2725(32)2823(22)1741020(332)11517)1629121430(151329)198618(26)7919h41123H31216H212H3(H2272832)
MFCD14903257
ZINC000018708867
ZINC000018708868

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Available files

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