Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-(pentyloxy)benzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570121
SMILES CCCCCOc1ccc(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 C30H44O7 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44O7/c1-2-3-10-19-31-23-13-11-22(12-14-23)20-32-26-25(24-21-33-29(35-24)15-6-4-7-16-29)34-28-27(26)36-30(37-28)17-8-5-9-18-30/h11-14,24-28H,2-10,15-21H2,1H3/t24?,25-,26+,27-,28-/m1/s1InChIKey
UDTZNSJBIAUINU-QWJUJVJMSA-NSynonyms
447458-47-1(3aR5R6S6aR)5(14dioxaspiro(45)decan3yl)6((4pentoxyphenyl)methoxy)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
(3aR5R6S6aR)6((4(pentyloxy)benzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
16397397
447458471
CCCCCOc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3
InChI=1SC30H44O7c12310193123131122(121423)20322625(24213329(3524)156471629)342827(26)3630(3728)178591830h11142428H2101521H21H3t24?2526+2728m1s1
MFCD32649555
ZINC000016040353
ZINC000070671669
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