Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-methoxybenzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570116
SMILES COc1ccc(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 C26H36O7 MW 460.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O7/c1-27-19-10-8-18(9-11-19)16-28-22-21(20-17-29-25(31-20)12-4-2-5-13-25)30-24-23(22)32-26(33-24)14-6-3-7-15-26/h8-11,20-24H,2-7,12-17H2,1H3/t20?,21-,22+,23-,24-/m1/s1InChIKey
HPCBVOSHAUBAEC-VIUFCWKLSA-NSynonyms
449796-96-7(3aR5R6S6aR)5(14dioxaspiro(45)decan3yl)6((4methoxyphenyl)methoxy)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
(3aR5R6S6aR)6((4methoxybenzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
16397483
449796967
COc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3
InChI=1SC26H36O7c1271910818(91119)16282221(20172925(3120)124251325)302423(22)3226(3324)146371526h8112024H271217H21H3t20?2122+2324m1s1
MFCD32649550
ZINC000008833988
ZINC000012660596
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