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5-[(2-methylphenoxy)methyl]-4-pentyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL535688
SMILES CCCCCn1c(nnc1COc1ccccc1C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C

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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 C29H40N4O9S MW 620.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N4O9S/c1-7-8-11-14-33-24(16-39-22-13-10-9-12-17(22)2)31-32-29(33)43-28-25(30-18(3)34)27(41-21(6)37)26(40-20(5)36)23(42-28)15-38-19(4)35/h9-10,12-13,23,25-28H,7-8,11,14-16H2,1-6H3,(H,30,34)/t23-,25-,26-,27-,28+/m1/s1
InChIKey
KSTCYVLCPQMALH-LZEBPPIWSA-N
Synonyms
1014062-36-2
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((5((2methylphenoxy)methyl)4pentyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4pentyl5((otolyloxy)methyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
1014062362
17571965
5((2methylphenoxy)methyl)4pentyl4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
CCCCCn1c(nnc1COc1ccccc1C)S(C@@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1NC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC29H40N4O9Sc17811143324(163922131091217(22)2)313229(33)432825(3018(3)34)27(4121(6)37)26(4020(5)36)23(4228)153819(4)35h9101213232528H78111416H216H3(H3034)t2325262728+m1s1
MFCD09843629
ZINC000070712224
ZINC70712224

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Available files

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