Vitas-M small molecule compound
methyl 3-{6-[(4-formylpiperazin-1-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanoate
Catalog ID
STL551076
SMILES O=CN1CCN(CC1)Cc1cc(=O)c(c(o1)C(c1cc2cc(OC)ccc2nc1O)CC(=O)OC)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 C25H27N3O8 MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O8/c1-34-16-3-4-20-15(9-16)10-19(25(33)26-20)18(12-22(31)35-2)24-23(32)21(30)11-17(36-24)13-27-5-7-28(14-29)8-6-27/h3-4,9-11,14,18,32H,5-8,12-13H2,1-2H3,(H,26,33)InChIKey
JBTVCUFIFDMUCK-UHFFFAOYSA-NSynonyms
129895332
InChI=1SC25H27N3O8c13416342015(916)1019(25(33)2620)18(1222(31)352)2423(32)21(30)1117(3624)13275728(1429)8627h34911141832H581213H212H3(H2633)
methyl3(6((4formylpiperazin1yl)methyl)3hydroxy4oxo4Hpyran2yl)3(2hydroxy6methoxyquinolin3yl)propanoate
methyl3(6((4formylpiperazin1yl)methyl)3hydroxy4oxopyran2yl)3(6methoxy2oxo1~(H)quinolin3yl)propanoate
MFCD31757934
ZINC000524730437
ZINC000524730438
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