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

Catalog ID
STL535619
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2C2CCCC2)COc2cccc(c2)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=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 C29H38N4O9S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N4O9S/c1-16-9-8-12-22(13-16)39-15-24-31-32-29(33(24)21-10-6-7-11-21)43-28-25(30-17(2)34)27(41-20(5)37)26(40-19(4)36)23(42-28)14-38-18(3)35/h8-9,12-13,21,23,25-28H,6-7,10-11,14-15H2,1-5H3,(H,30,34)/t23-,25-,26-,27-,28+/m1/s1
InChIKey
QQQQPUYNMIJWOA-LZEBPPIWSA-N
Synonyms
1014038-10-8
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((4cyclopentyl5((3methylphenoxy)methyl)124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4cyclopentyl5((mtolyloxy)methyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
1014038108
17572016
4cyclopentyl5((3methylphenoxy)methyl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2C2CCCC2)COc2cccc(c2)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC29H38N4O9Sc116981222(1316)391524313229(33(24)2110671121)432825(3017(2)34)27(4120(5)37)26(4019(4)36)23(4228)143818(3)35h89121321232528H6710111415H215H3(H3034)t2325262728+m1s1
MFCD09843686
ZINC000070712237
ZINC70712237

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Available files

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