Vitas-M small molecule compound
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromene-2-carboxylate
Catalog ID
STL524493
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc2c(c1)OCCO2)OC1OC(COC(=O)C)C(C(C1OC(=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 C34H34O16 MW 698.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34O16/c1-6-41-33(40)30-27(20-7-10-23-25(13-20)43-12-11-42-23)28(39)22-9-8-21(14-24(22)49-30)48-34-32(47-19(5)38)31(46-18(4)37)29(45-17(3)36)26(50-34)15-44-16(2)35/h7-10,13-14,26,29,31-32,34H,6,11-12,15H2,1-5H3InChIKey
CONXBBMDYHPWGK-UHFFFAOYSA-NSynonyms
1093401-45-6(2R3R4S5R6S)2(ACETOXYMETHYL)6((3(23DIHYDROBENZO(B)(14)DIOXIN6YL)2(ETHOXYCARBONYL)4OXO4HCHROMEN7YL)OXY)TETRAHYDRO2HPYRAN345TRIYLTRIACETATE
1093401456
3096257
ethyl3(23dihydro14benzodioxin6yl)4oxo7((2346tetraOacetylhexopyranosyl)oxy)4Hchromene2carboxylate
ETHYL3(23DIHYDRO14BENZODIOXIN6YL)4OXO7(345TRIACETYLOXY6(ACETYLOXYMETHYL)OXAN2YL)OXYCHROMENE2CARBOXYLATE
InChI=1SC34H34O16c164133(40)3027(207102325(1320)4312114223)28(39)229821(1424(22)4930)483432(4719(5)38)31(4618(4)37)29(4517(3)36)26(5034)154416(2)35h71013142629313234H6111215H215H3
MFCD00301901
ZINC000253504419
ZINC000253504421
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