Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4H-chromen-7-yl beta-L-glucopyranoside
Catalog ID
STL566133
SMILES OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCCO3)[C@H]([C@@H]([C@H]1O)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 C24H24O10 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24O10/c25-10-19-21(27)22(28)23(29)24(34-19)33-13-3-4-14-17(9-13)32-11-15(20(14)26)12-2-5-16-18(8-12)31-7-1-6-30-16/h2-5,8-9,11,19,21-25,27-29H,1,6-7,10H2/t19-,21-,22+,23-,24-/m0/s1InChIKey
IENZDLRFOZZESC-PJKILVJMSA-NSynonyms
16398209
3(34dihydro2H15benzodioxepin7yl)4oxo4Hchromen7ylbetaLglucopyranoside
3(34dihydro2H15benzodioxepin7yl)7((2R3S4R5R6S)345trihydroxy6(hydroxymethyl)oxan2yl)oxychromen4one
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)7(((2R3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)4Hchromen4one
InChI=1SC24H24O10c25101921(27)22(28)23(29)24(3419)3313341417(913)321115(20(14)26)12251618(812)317163016h2589111921252729H16710H2t192122+2324m0s1
MFCD32651846
OCC1O(C@H)(Oc2ccc3c(c2)occ(c3=O)c2ccc3c(c2)OCCCO3)C(C((C@@H)1O)O)O
ZINC000009033682
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