Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-(pyrazolo[1,5-a]pyrimidin-3-yl)propanoate
Catalog ID
STL494489
SMILES COC(=O)CC(c1cnn2c1nccc2)c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O
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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 C27H29N5O6 MW 519.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O6/c1-36-19-6-4-18(5-7-19)31-12-10-30(11-13-31)17-20-14-23(33)25(35)26(38-20)21(15-24(34)37-2)22-16-29-32-9-3-8-28-27(22)32/h3-9,14,16,21,35H,10-13,15,17H2,1-2H3InChIKey
PRHPVWMMRAJJHE-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)C(=C(O3)C(CC(=O)OC)C4=C5N=CC=CN5N=C4)O
InChI=1SC27H29N5O6c136196418(5719)31121030(111331)17201423(33)25(35)26(3820)21(1524(34)372)221629329382827(22)32h3914162135H10131517H212H3
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3pyrazolo(15a)pyrimidin3ylpropanoate
MFCD29057266
ZINC000253412025
ZINC000253412026
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