Vitas-M small molecule compound
ethyl 6-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107767
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2C)NC(=O)NC1c1ccc(cc1)SC
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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 C26H32N4O3S MW 480.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O3S/c1-4-33-25(31)23-21(27-26(32)28-24(23)19-9-11-20(34-3)12-10-19)17-29-13-15-30(16-14-29)22-8-6-5-7-18(22)2/h5-12,24H,4,13-17H2,1-3H3,(H2,27,28,32)InChIKey
HQQHUXMPMFZXOK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CN3CCN(CC3)C4=CC=CC=C4C
ethyl6((4(2methylphenyl)piperazin1yl)methyl)4(4(methylsulfanyl)phenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(2methylphenyl)piperazin1yl)methyl)4(4methylsulfanylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC26H32N4O3Sc143325(31)2321(2726(32)2824(23)1991120(343)121019)1729131530(161429)22865718(22)2h51224H41317H213H3(H2272832)
MFCD20741695
ZINC000067287067
ZINC000067287070
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