Vitas-M small molecule compound
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(hexopyranosyloxy)-4-oxo-4H-chromene-2-carboxylate
Catalog ID
STL564594
SMILES OCC1OC(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(=O)OC)C(C(C1O)O)O
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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 C25H24O12 MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24O12/c1-32-24(31)23-18(11-2-5-14-16(8-11)34-7-6-33-14)19(27)13-4-3-12(9-15(13)36-23)35-25-22(30)21(29)20(28)17(10-26)37-25/h2-5,8-9,17,20-22,25-26,28-30H,6-7,10H2,1H3InChIKey
MKOFDBDBDHCQCO-UHFFFAOYSA-NSynonyms
3616513
InChI=1SC25H24O12c13224(31)2318(11251416(811)34763314)19(27)134312(915(13)3623)352522(30)21(29)20(28)17(1026)3725h258917202225262830H6710H21H3
methyl3(23dihydro14benzodioxin6yl)4oxo7(345trihydroxy6(hydroxymethyl)oxan2yl)oxychromene2carboxylate
methyl3(23dihydro14benzodioxin6yl)7(hexopyranosyloxy)4oxo4Hchromene2carboxylate
methyl3(23dihydrobenzo(b)(14)dioxin6yl)4oxo7(((2S3R4R5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)4Hchromene2carboxylate
MFCD01543933
OC(C@H)1O(C@@H)(Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCO3)C(=O)OC)(C@@H)((C@@H)((C@@H)1O)O)O
ZINC000504068655
ZINC000504068660
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