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

Catalog ID
STL010539
SMILES CC(=O)OC[C@H]1O[C@@H](Sc2nnc(n2c2ccccc2)COc2ccccc2Cl)[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 C29H31ClN4O9S MW 647.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN4O9S/c1-16(35)31-25-27(42-19(4)38)26(41-18(3)37)23(14-39-17(2)36)43-28(25)44-29-33-32-24(34(29)20-10-6-5-7-11-20)15-40-22-13-9-8-12-21(22)30/h5-13,23,25-28H,14-15H2,1-4H3,(H,31,35)/t23-,25-,26-,27-,28+/m1/s1
InChIKey
FSUAATKDFLAORU-LZEBPPIWSA-N
Synonyms
956997-61-8
((2R3S4R5R6S)5acetamido34diacetyloxy6((5((2chlorophenoxy)methyl)4phenyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((5((2chlorophenoxy)methyl)4phenyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
5((2CHLOROPHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL346TRIOACETYL2(ACETYLAMINO)2DEOXY1THIOBETADGLUCOPYRANOSIDE
956997618
CC(=O)NC1C(C(C(OC1SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4Cl)COC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2c2ccccc2)COc2ccccc2Cl)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC29H31ClN4O9Sc116(35)312527(4219(4)38)26(4118(3)37)23(143917(2)36)4328(25)4429333224(34(29)20106571120)15402213981221(22)30h513232528H1415H214H3(H3135)t2325262728+m1s1
MFCD09842911
ZINC000079228627
ZINC79228627

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Available files

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