Vitas-M small molecule compound

(3a'R,5'R,5a'S,8a'S,8b'R)-5'-({[4-(3-methylbutoxy)benzyl]oxy}methyl)tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane] (non-preferred name)

Catalog ID
STL570133
SMILES CC(CCOc1ccc(cc1)COC[C@H]1O[C@@H]2OC3(O[C@@H]2[C@@H]2[C@H]1OC1(O2)CCCCC1)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 C30H44O7 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44O7/c1-21(2)13-18-32-23-11-9-22(10-12-23)19-31-20-24-25-26(35-29(34-25)14-5-3-6-15-29)27-28(33-24)37-30(36-27)16-7-4-8-17-30/h9-12,21,24-28H,3-8,13-20H2,1-2H3/t24-,25+,26+,27-,28-/m1/s1
InChIKey
CMTNHOJRZICOON-QBROEMLDSA-N
Synonyms
452316-01-7
(1S2R6R8R9S)8(((4(3methylbutoxy)phenyl)methoxy)methyl)dispiro(cyclohexane14(3571012)pentaoxatricyclo(7300^(26))dodecane111cyclohexane)
(3aR5R5aS8aS8bR)5(((4(3methylbutoxy)benzyl)oxy)methyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)(nonpreferredname)
452316017
CC(CCOc1ccc(cc1)COC(C@H)1O(C@@H)2OC3(O(C@@H)2(C@@H)2(C@H)1OC1(O2)CCCCC1)CCCCC3)C
ZINC000070672210

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Available files

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