Vitas-M small molecule compound

3-[4-(beta-D-glucopyranosyloxy)phenyl]-6,8-bis[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromene-5,7-diolate

Catalog ID
STL528457
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)c2coc3c(c2=O)c([O-])c(c(c3C[NH+]2CCCCC2C)[O-])C[NH+]2CCCCC2C)[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 C35H46N2O10 MW 654.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N2O10/c1-19-7-3-5-13-36(19)15-23-28(39)24(16-37-14-6-4-8-20(37)2)34-27(29(23)40)30(41)25(18-45-34)21-9-11-22(12-10-21)46-35-33(44)32(43)31(42)26(17-38)47-35/h9-12,18-20,26,31-33,35,38-40,42-44H,3-8,13-17H2,1-2H3/t19?,20?,26-,31-,32+,33-,35-
InChIKey
VPHGNASNUHAYHV-SGEVFMDGSA-N
Synonyms
956814-81-6
3(4(betaDglucopyranosyloxy)phenyl)68bis((2methylpiperidinium1yl)methyl)4oxo4Hchromene57diolate
44658454
68bis((2methylpiperidin1ium1yl)methyl)4oxo3(4((2~(S)3~(R)4~(S)5~(S)6~(R))345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)chromene57diolate
956814816
InChI=1SC35H46N2O10c1197351336(19)152328(39)24(16371464820(37)2)3427(29(23)40)30(41)25(184534)2191122(121021)463533(44)32(43)31(42)26(1738)4735h91218202631333538404244H381317H212H3t19?20?263132+3335m1s1
ZINC000079209906
ZINC000245241982

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Available files

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