Vitas-M small molecule compound
3-[4-(beta-D-glucopyranosyloxy)phenyl]-6,8-bis(morpholin-4-ium-4-ylmethyl)-4-oxo-4H-chromene-5,7-diolate
Catalog ID
STL528506
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)c2coc3c(c2=O)c([O-])c(c(c3C[NH+]2CCOCC2)[O-])C[NH+]2CCOCC2)[C@@H]([C@H]([C@@H]1O)O)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 C31H38N2O12 MW 630.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O12/c34-15-22-27(38)28(39)29(40)31(45-22)44-18-3-1-17(2-4-18)21-16-43-30-20(14-33-7-11-42-12-8-33)24(35)19(25(36)23(30)26(21)37)13-32-5-9-41-10-6-32/h1-4,16,22,27-29,31,34-36,38-40H,5-15H2/t22-,27-,28+,29-,31-/m1/s1InChIKey
VFUPDGRCPOEQAB-QVBFNDMOSA-NSynonyms
956814-75-83(4(betaDglucopyranosyloxy)phenyl)68bis(morpholin4ium4ylmethyl)4oxo4Hchromene57diolate
44657225
68bis(morpholin4ium4ylmethyl)4oxo3(4((2~(S)3~(R)4~(S)5~(S)6~(R))345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)chromene57diolate
956814758
InChI=1SC31H38N2O12c34152227(38)28(39)29(40)31(4522)44183117(2418)2116433020(14337114212833)24(35)19(25(36)23(30)26(21)37)1332594110632h14162227293134363840H515H2t222728+2931m1s1
ZINC000070672273
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