Vitas-M small molecule compound

4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside

Catalog ID
STL460055
SMILES CCc1cc(=O)oc2c1ccc(c2C)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/c1-7-17-10-21(31)38-22-12(2)19(9-8-18(17)22)36-26-25(35-16(6)30)24(34-15(5)29)23(33-14(4)28)20(37-26)11-32-13(3)27/h8-10,20,23-26H,7,11H2,1-6H3/t20-,23-,24+,25-,26-/m1/s1
InChIKey
DRTWYOMLVCKCMG-DDLBMNSQSA-N
Synonyms
956994-99-3
((2R3R4S5R6S)345triacetyloxy6(4ethyl8methyl2oxochromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R6S)2(acetoxymethyl)6((4ethyl8methyl2oxo2Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
4ethyl8methyl2oxo2Hchromen7yl2346tetraOacetylbetaDglucopyranoside
956994993
CCC1=CC(=O)OC2=C1C=CC(=C2C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
CCc1cc(=O)oc2c1ccc(c2C)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=1SC26H30O12c17171021(31)382212(2)19(9818(17)22)362625(3516(6)30)24(3415(5)29)23(3314(4)28)20(3726)113213(3)27h810202326H711H216H3t202324+2526m1s1
MFCD05677191
ZINC000070691915
ZINC70691915

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Available files

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