Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-isobutoxybenzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570119
SMILES CC(COc1ccc(cc1)CO[C@@H]1[C@H]2OC3(O[C@H]2O[C@@H]1C1COC2(O1)CCCCC2)CCCCC3)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 C29H42O7 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42O7/c1-20(2)17-30-22-11-9-21(10-12-22)18-31-25-24(23-19-32-28(34-23)13-5-3-6-14-28)33-27-26(25)35-29(36-27)15-7-4-8-16-29/h9-12,20,23-27H,3-8,13-19H2,1-2H3/t23?,24-,25+,26-,27-/m1/s1InChIKey
QZXRMSYEFFSAJO-BBGUVUNVSA-NSynonyms
1190934-06-5(3aR5R6S6aR)5(14dioxaspiro(45)decan3yl)6((4(2methylpropoxy)phenyl)methoxy)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
(3aR5R6S6aR)6((4isobutoxybenzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
1190934065
16397364
CC(COc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3)C
InChI=1SC29H42O7c120(2)17302211921(101222)18312524(23193228(3423)135361428)332726(25)3529(3627)157481629h912202327H381319H212H3t23?2425+2627m1s1
MFCD32649553
ZINC000012660479
ZINC000012660480
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