Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
Catalog ID
STL565431
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCO3)[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 C31H30O14 MW 626.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30O14/c1-15(32)39-14-26-28(41-16(2)33)29(42-17(3)34)30(43-18(4)35)31(45-26)44-20-6-7-21-24(12-20)40-13-22(27(21)36)19-5-8-23-25(11-19)38-10-9-37-23/h5-8,11-13,26,28-31H,9-10,14H2,1-4H3/t26-,28-,29+,30-,31-/m1/s1InChIKey
MJRFCSQUAHKKFK-OVFXHNNVSA-NSynonyms
121060-08-0((2R3R4S5R6S)345triacetyloxy6(3(23dihydro14benzodioxin6yl)4oxochromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R6S)2(acetoxymethyl)6((3(23dihydrobenzo(b)(14)dioxin6yl)4oxo4Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
121060080
16397855
3(23dihydro14benzodioxin6yl)4oxo4Hchromen7yl2346tetraOacetylbetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCO3)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC31H30O14c115(32)39142628(4116(2)33)29(4217(3)34)30(4318(4)35)31(4526)4420672124(1220)401322(27(21)36)19582325(1119)381093723h581113262831H91014H214H3t262829+3031m1s1
MFCD32651669
ZINC000079210040
Check stock
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Check stock on Vitas-MAvailable files
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