Vitas-M small molecule compound
(3a'R,5'R,6'S,6a'R)-6'-((4-butoxybenzyl)oxy)-5'-((R)-1,4-dioxaspiro[4.5]decan-2-yl)tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]
Catalog ID
STL570120
SMILES CCCCOc1ccc(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 C29H42O7 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42O7/c1-2-3-18-30-22-12-10-21(11-13-22)19-31-25-24(23-20-32-28(34-23)14-6-4-7-15-28)33-27-26(25)35-29(36-27)16-8-5-9-17-29/h10-13,23-27H,2-9,14-20H2,1H3/t23?,24-,25+,26-,27-/m1/s1InChIKey
JAJFVZGROBYHIY-BBGUVUNVSA-NSynonyms
1192476-19-9(3aR5R6S6aR)6((4butoxybenzyl)oxy)5((R)14dioxaspiro(45)decan2yl)tetrahydrospiro(cyclohexane12furo(23d)(13)dioxole)
(3aR5R6S6aR)6((4butoxyphenyl)methoxy)5(14dioxaspiro(45)decan3yl)spiro(3a566atetrahydrofuro(23d)(13)dioxole21cyclohexane)
1192476199
16397369
CCCCOc1ccc(cc1)CO(C@@H)1(C@H)2OC3(O(C@H)2O(C@@H)1C1COC2(O1)CCCCC2)CCCCC3
InChI=1SC29H42O7c123183022121021(111322)19312524(23203228(3423)146471528)332726(25)3529(3627)168591729h10132327H291420H21H3t23?2425+2627m1s1
MFCD32649554
ZINC000012660482
ZINC000012660483
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