Vitas-M small molecule compound

phenyl 2,3,4-tri-O-prop-2-en-1-yl-1-thio-6-O-trityl-alpha-D-mannopyranoside

Catalog ID
STK537376
SMILES C=CCO[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]([C@H]([C@H]1OCC=C)OCC=C)Sc1ccccc1

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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 C40H42O5S MW 634.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42O5S/c1-4-27-41-36-35(45-39(46-34-25-17-10-18-26-34)38(43-29-6-3)37(36)42-28-5-2)30-44-40(31-19-11-7-12-20-31,32-21-13-8-14-22-32)33-23-15-9-16-24-33/h4-26,35-39H,1-3,27-30H2/t35-,36-,37+,38+,39-/m1/s1
InChIKey
TXRQHCCREUGESF-WEMFOFRKSA-N
Synonyms

(2R3S4S5R6R)2phenylsulfanyl345tris(prop2enoxy)6(trityloxymethyl)oxane
(2R3S4S5R6R)345tris(allyloxy)2(phenylthio)6((trityloxy)methyl)tetrahydro2Hpyran
C=CCO(C@@H)1(C@@H)(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O(C@@H)((C@H)((C@H)1OCC=C)OCC=C)Sc1ccccc1
C=CCOC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C(C1OCC=C)OCC=C)Sc1ccccc1
C=CCOC1C(OC(C(C1OCC=C)OCC=C)SC2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC40H42O5Sc1427413635(4539(4634251710182634)38(432963)37(36)422852)304440(31191171220313221138142232)3323159162433h4263539H132730H2t353637+38+39m1s1
MFCD18241688
phenyl234triOprop2en1yl1thio6OtritylalphaDmannopyranoside
ZINC000150420650
ZINC150420650

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.