Vitas-M small molecule compound
prop-2-en-1-yl 6-methyl-4-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK822942
SMILES C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1
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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 C29H32N4O4 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O4/c1-5-16-37-28(34)25-20(4)30-29(35)31-27(25)24-18-33(22-9-7-6-8-10-22)32-26(24)21-11-13-23(14-12-21)36-17-15-19(2)3/h5-14,18-19,27H,1,15-17H2,2-4H3,(H2,30,31,35)InChIKey
KFAQTIQKUVYAOB-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)C(=O)OCC=C
InChI=1SC29H32N4O4c15163728(34)2520(4)3029(35)3127(25)241833(2297681022)3226(24)21111323(141221)36171519(2)3h514181927H11517H224H3(H2303135)
MFCD03463502
prop2en1yl6methyl4(3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)2oxo1234tetrahydropyrimidine5carboxylate
prop2enyl6methyl4(3(4(3methylbutoxy)phenyl)1phenylpyrazol4yl)2oxo34dihydro1Hpyrimidine5carboxylate
ZINC000027017963
ZINC000027017968
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