Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside
Catalog ID
STL525396
SMILES CCc1cc2c(cc1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)occ(c2=O)c1ccc2c(c1)OCO2
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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 C32H32O14 MW 640.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32O14/c1-6-19-9-21-25(39-12-22(28(21)37)20-7-8-23-26(10-20)41-14-40-23)11-24(19)45-32-31(44-18(5)36)30(43-17(4)35)29(42-16(3)34)27(46-32)13-38-15(2)33/h7-12,27,29-32H,6,13-14H2,1-5H3/t27-,29-,30+,31-,32+/m1/s1InChIKey
NDEVARCRJOYXJL-ICLVLUFYSA-NSynonyms
((2~(R)3~(R)4~(S)5~(R)6~(R))345triacetyloxy6(3(13benzodioxol5yl)6ethyl4oxochromen7yl)oxyoxan2yl)methylacetate
(2R3R4S5R6R)2(acetoxymethyl)6((3(benzo(d)(13)dioxol5yl)6ethyl4oxo4Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
16395305
3(13benzodioxol5yl)6ethyl4oxo4Hchromen7yl2346tetraOacetylalphaDglucopyranoside
CCc1cc2c(cc1O(C@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C)occ(c2=O)c1ccc2c(c1)OCO2
InChI=1SC32H32O14c161992125(391222(28(21)37)20782326(1020)41144023)1124(19)453231(4418(5)36)30(4317(4)35)29(4216(3)34)27(4632)133815(2)33h712272932H61314H215H3t272930+3132+m1s1
MFCD01084097
ZINC000085866965
ZINC85866965
Check stock
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Check stock on Vitas-MAvailable files
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