Vitas-M small molecule compound
methyl 3-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)propanoate
Catalog ID
STL547433
SMILES COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1cc2cc3OCCOc3cc2nc1O
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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 C32H33N3O9 MW 603.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O9/c1-40-21-5-3-20(4-6-21)35-9-7-34(8-10-35)18-22-15-26(36)30(38)31(44-22)23(16-29(37)41-2)24-13-19-14-27-28(43-12-11-42-27)17-25(19)33-32(24)39/h3-6,13-15,17,23,38H,7-12,16,18H2,1-2H3,(H,33,39)InChIKey
KIWPNOPQZYNMDD-UHFFFAOYSA-NSynonyms
110207279
InChI=1SC32H33N3O9c140215320(4621)359734(81035)18221526(36)30(38)31(4422)23(1629(37)412)241319142728(4312114227)1725(19)3332(24)39h361315172338H7121618H212H3(H3339)
methyl3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxopyran2yl)3(7oxo36dihydro2~(H)(14)dioxino(23g)quinolin8yl)propanoate
methyl3(7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)3(3hydroxy6((4(4methoxyphenyl)piperazin1yl)methyl)4oxo4Hpyran2yl)propanoate
MFCD31756566
ZINC000253623765
ZINC000253623766
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