Vitas-M small molecule compound
methyl 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027879
SMILES COC(=O)C1=C(CN2CCN(CC2)c2cc(C)ccc2C)NC(=O)NC1c1ccc(cc1)CC
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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 C27H34N4O3 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O3/c1-5-20-8-10-21(11-9-20)25-24(26(32)34-4)22(28-27(33)29-25)17-30-12-14-31(15-13-30)23-16-18(2)6-7-19(23)3/h6-11,16,25H,5,12-15,17H2,1-4H3,(H2,28,29,33)InChIKey
HSXISZDUEQZBGR-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=C(C=CC(=C4)C)C)C(=O)OC
InChI=1SC27H34N4O3c152081021(11920)2524(26(32)344)22(2827(33)2925)1730121431(151330)231618(2)6719(23)3h6111625H5121517H214H3(H2282933)
methyl6((4(25dimethylphenyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(25dimethylphenyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188470
ZINC000057415218
ZINC000057415221
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