Vitas-M small molecule compound
methyl 3-{6-[(4-formylpiperazin-1-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(4-hydroxyphenyl)propanoate
Catalog ID
STL549801
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)C=O)cc(=O)c1O)c1ccc(cc1)O
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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 C21H24N2O7 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O7/c1-29-19(27)11-17(14-2-4-15(25)5-3-14)21-20(28)18(26)10-16(30-21)12-22-6-8-23(13-24)9-7-22/h2-5,10,13,17,25,28H,6-9,11-12H2,1H3InChIKey
KJYIIJCQZKLHOL-UHFFFAOYSA-NSynonyms
129895630
InChI=1SC21H24N2O7c12919(27)1117(142415(25)5314)2120(28)18(26)1016(3021)12226823(1324)9722h251013172528H691112H21H3
methyl3(6((4formylpiperazin1yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(6((4formylpiperazin1yl)methyl)3hydroxy4oxopyran2yl)3(4hydroxyphenyl)propanoate
MFCD31757213
ZINC000524731102
ZINC000524731103
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