Vitas-M small molecule compound
3-[4-(beta-D-glucopyranosyloxy)phenyl]-6,8-bis[(4-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromene-5,7-diolate
Catalog ID
STL528589
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)c2coc3c(c2=O)c([O-])c(c(c3C[NH+]2CCC(CC2)C)[O-])C[NH+]2CCC(CC2)C)[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/c1-19-7-11-36(12-8-19)15-23-28(39)24(16-37-13-9-20(2)10-14-37)34-27(29(23)40)30(41)25(18-45-34)21-3-5-22(6-4-21)46-35-33(44)32(43)31(42)26(17-38)47-35/h3-6,18-20,26,31-33,35,38-40,42-44H,7-17H2,1-2H3/t26-,31-,32+,33-,35-/m1/s1InChIKey
QAJXTOOWSRMGOV-BEYFWPOZSA-NSynonyms
956976-99-13(4(betaDglucopyranosyloxy)phenyl)68bis((4methylpiperidinium1yl)methyl)4oxo4Hchromene57diolate
44654819
68bis((4methylpiperidin1ium1yl)methyl)4oxo3(4((2~(S)3~(R)4~(S)5~(S)6~(R))345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)chromene57diolate
956976991
InChI=1SC35H46N2O10c11971136(12819)152328(39)24(163713920(2)101437)3427(29(23)40)30(41)25(184534)213522(6421)463533(44)32(43)31(42)26(1738)4735h3618202631333538404244H717H212H3t263132+3335m1s1
ZINC000079209890
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