Vitas-M small molecule compound
methyl 3-(3-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)propanoate
Catalog ID
STL543341
SMILES COC(=O)CC(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)O)OC
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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 C28H30N2O8 MW 522.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O8/c1-36-24-7-6-17(9-22(24)31)20(11-26(34)37-2)28-27(35)23(32)10-19(38-28)15-29-12-16-8-18(14-29)21-4-3-5-25(33)30(21)13-16/h3-7,9-10,16,18,20,31,35H,8,11-15H2,1-2H3/t16-,18+,20?/m0/s1InChIKey
IKIZORIANMGOGN-HYJPWMOMSA-NSynonyms
COC(=O)CC(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)c1ccc(c(c1)O)OC
InChI=1SC28H30N2O8c136247617(922(24)31)20(1126(34)372)2827(35)23(32)1019(3828)15291216818(1429)2143525(33)30(21)1316h379101618203135H81115H212H3t1618+20?m0s1
methyl3(3hydroxy4methoxyphenyl)3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)propanoate
methyl3(3hydroxy4methoxyphenyl)3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)propanoate
ZINC000225419141
ZINC000225419181
Check stock
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