Vitas-M small molecule compound

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

Catalog ID
STK060416
SMILES CC(=O)OC[C@H]1OC(Oc2ccc3c(c2)oc(=O)cc3c2ccccc2)[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 C29H28O12 MW 568.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O12/c1-15(30)35-14-24-26(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(41-24)39-20-10-11-21-22(19-8-6-5-7-9-19)13-25(34)40-23(21)12-20/h5-13,24,26-29H,14H2,1-4H3/t24-,26-,27+,28-,29?/m1/s1
InChIKey
QCLMGHOOPBXDPV-OJHKMLFLSA-N
Synonyms
318481-21-9
((2R3R4S5R)345triacetyloxy6(2oxo4phenylchromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6((2oxo4phenyl2Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
2oxo4phenyl2Hchromen7yl2346tetraOacetylDglucopyranoside
318481219
CC(=O)OC(C@H)1OC(Oc2ccc3c(c2)oc(=O)cc3c2ccccc2)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC29H28O12c115(30)35142426(3616(2)31)27(3717(3)32)28(3818(4)33)29(4124)392010112122(198657919)1325(34)4023(21)1220h513242629H14H214H3t242627+2829?m1s1
MFCD01545918
STK060416
ZINC000070665327
ZINC000070665330

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Available files

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