Vitas-M small molecule compound

2,3-bis(dodecyloxy)propyl 2-(acetylamino)-3-O-[(1S)-1-carboxyethyl]-2-deoxy-4,6-O-(1-methylethylidene)-beta-D-glucopyranoside

Catalog ID
STL565028
SMILES CCCCCCCCCCCCOCC(CO[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1NC(=O)C)O[C@H](C(=O)O)C)(C)C)OCCCCCCCCCCCC

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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 C41H77NO10 MW 744.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H77NO10/c1-7-9-11-13-15-17-19-21-23-25-27-46-29-34(47-28-26-24-22-20-18-16-14-12-10-8-2)30-48-40-36(42-33(4)43)38(50-32(3)39(44)45)37-35(51-40)31-49-41(5,6)52-37/h32,34-38,40H,7-31H2,1-6H3,(H,42,43)(H,44,45)/t32-,34?,35+,36+,37+,38+,40+/m0/s1
InChIKey
JSSXXOALYWSPHD-LUDLAHDDSA-N
Synonyms

(2R)2(((4aR6R7R8R8aS)7acetamido6(23bis(dodecyloxy)propoxy)22dimethylhexahydropyrano(32d)(13)dioxin8yl)oxy)propanoicacid
(2S)2(((4aR6R7R8R8aS)7acetamido6(23didodecoxypropoxy)22dimethyl44a6788ahexahydropyrano(32d)(13)dioxin8yl)oxy)propanoicacid
16395533
23bis(dodecyloxy)propyl2(acetylamino)3O((1S)1carboxyethyl)2deoxy46O(1methylethylidene)betaDglucopyranoside
CCCCCCCCCCCCOCC(CO(C@@H)1O(C@@H)2COC(O(C@H)2(C@@H)((C@H)1NC(=O)C)O(C@@H)(C(=O)O)C)(C)C)OCCCCCCCCCCCC
InChI=1SC41H77NO10c179111315171921232527462934(472826242220181614121082)30484036(4233(4)43)38(5032(3)39(44)45)3735(5140)314941(56)5237h32343840H731H216H3(H4243)(H4445)t3234?35+36+37+38+40+m0s1
MFCD32651632
ZINC000079183212
ZINC000085867269

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Available files

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