Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-ethoxybenzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570117
SMILES CCOc1ccc(cc1)CO[C@@H]1[C@H]2OC3(O[C@H]2O[C@@H]1C1COC2(O1)CCCCC2)CCCCC3
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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 C27H38O7 MW 474.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38O7/c1-2-28-20-11-9-19(10-12-20)17-29-23-22(21-18-30-26(32-21)13-5-3-6-14-26)31-25-24(23)33-27(34-25)15-7-4-8-16-27/h9-12,21-25H,2-8,13-18H2,1H3/t21?,22-,23+,24-,25-/m1/s1InChIKey
XUIUVPHHFKBKNF-WNMCAHLPSA-NSynonyms
450366-04-8(3aR5R6S6aR)5(14dioxaspiro(45)decan3yl)6((4ethoxyphenyl)methoxy)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
(3aR5R6S6aR)6((4ethoxybenzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
16397503
450366048
CCOc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3
InChI=1SC27H38O7c12282011919(101220)17292322(21183026(3221)135361426)312524(23)3327(3425)157481627h9122125H281318H21H3t21?2223+2425m1s1
MFCD32649551
ZINC000002477840
ZINC000012660619
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