Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-propoxybenzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570118
SMILES CCCOc1ccc(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 C28H40O7 MW 488.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40O7/c1-2-17-29-21-11-9-20(10-12-21)18-30-24-23(22-19-31-27(33-22)13-5-3-6-14-27)32-26-25(24)34-28(35-26)15-7-4-8-16-28/h9-12,22-26H,2-8,13-19H2,1H3/t22?,23-,24+,25-,26-/m1/s1InChIKey
ZFKJNPPBFIGDKY-NZFACQQJSA-NSynonyms
447457-97-8(3aR5R6S6aR)5(14dioxaspiro(45)decan3yl)6((4propoxyphenyl)methoxy)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
(3aR5R6S6aR)6((4propoxybenzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
16397375
447457978
CCCOc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3
InChI=1SC28H40O7c1217292111920(101221)18302423(22193127(3322)135361427)322625(24)3428(3526)157481628h9122226H281319H21H3t22?2324+2526m1s1
MFCD32649552
ZINC000008833987
ZINC000012660486
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