Vitas-M small molecule compound
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromene-2-carboxylic acid
Catalog ID
STL528808
SMILES CC(=O)OCC1OC(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(=O)O)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 C32H30O16 MW 670.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30O16/c1-14(33)42-13-24-27(43-15(2)34)29(44-16(3)35)30(45-17(4)36)32(48-24)46-19-6-7-20-22(12-19)47-28(31(38)39)25(26(20)37)18-5-8-21-23(11-18)41-10-9-40-21/h5-8,11-12,24,27,29-30,32H,9-10,13H2,1-4H3,(H,38,39)InChIKey
ZUKVGFWPSCEHIY-UHFFFAOYSA-NSynonyms
3(23dihydro14benzodioxin6yl)4oxo7((2346tetraOacetylhexopyranosyl)oxy)4Hchromene2carboxylicacid
3(23DIHYDRO14BENZODIOXIN6YL)4OXO7(345TRIACETYLOXY6(ACETYLOXYMETHYL)OXAN2YL)OXYCHROMENE2CARBOXYLICACID
3(23DIHYDROBENZO(B)(14)DIOXIN6YL)4OXO7(((2S3R4S5R6R)345TRIACETOXY6(ACETOXYMETHYL)TETRAHYDRO2HPYRAN2YL)OXY)4HCHROMENE2CARBOXYLICACID
3096258
InChI=1SC32H30O16c114(33)42132427(4315(2)34)29(4416(3)35)30(4517(4)36)32(4824)4619672022(1219)4728(31(38)39)25(26(20)37)18582123(1118)411094021h5811122427293032H91013H214H3(H3839)
MFCD00301900
ZINC000253529406
ZINC000253529407
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