Vitas-M small molecule compound

2-oxo-4-propyl-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside

Catalog ID
STL460057
SMILES CCCc1cc(=O)oc2c1ccc(c2)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=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 C26H30O12 MW 534.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O12/c1-6-7-17-10-22(31)37-20-11-18(8-9-19(17)20)36-26-25(35-16(5)30)24(34-15(4)29)23(33-14(3)28)21(38-26)12-32-13(2)27/h8-11,21,23-26H,6-7,12H2,1-5H3/t21-,23-,24+,25-,26-/m1/s1
InChIKey
HXXOYWHFIPTEDY-XDXGNBCUSA-N
Synonyms
956918-93-7
((2R3R4S5R6S)345triacetyloxy6(2oxo4propylchromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R6S)2(acetoxymethyl)6((2oxo4propyl2Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
2oxo4propyl2Hchromen7yl2346tetraOacetylbetaDglucopyranoside
956918937
CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
CCCc1cc(=O)oc2c1ccc(c2)O(C@@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC26H30O12c167171022(31)37201118(8919(17)20)362625(3516(5)30)24(3415(4)29)23(3314(3)28)21(3826)123213(2)27h811212326H6712H215H3t212324+2526m1s1
MFCD05676696
ZINC000070691874
ZINC70691874

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Available files

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