Vitas-M small molecule compound
(3a'R,5'S,5a'R,8a'S,8b'R)-N-[4-(heptyloxy)phenyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide (non-preferred name)
Catalog ID
STL553693
SMILES CCCCCCCOc1ccc(cc1)NC(=O)[C@H]1O[C@@H]2OC3(O[C@@H]2[C@@H]2[C@H]1OC1(O2)CCCCC1)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 C31H45NO7 MW 543.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO7/c1-2-3-4-5-12-21-34-23-15-13-22(14-16-23)32-28(33)26-24-25(37-30(36-24)17-8-6-9-18-30)27-29(35-26)39-31(38-27)19-10-7-11-20-31/h13-16,24-27,29H,2-12,17-21H2,1H3,(H,32,33)/t24-,25+,26+,27-,29-/m1/s1InChIKey
RLUWEDUUYKGLSD-YDDKNALCSA-NSynonyms
447458-43-7(1S2R6R8S9R)N(4(heptyloxy)phenyl)dispiro(cyclohexane14(3571012)pentaoxatricyclo(7300^(26))dodecane111cyclohexane)8carboxamide
(3aR5S5aR8aS8bR)N(4(heptyloxy)phenyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)5carboxamide(nonpreferredname)
447458437
CCCCCCCOc1ccc(cc1)NC(=O)(C@H)1O(C@@H)2OC3(O(C@@H)2(C@@H)2(C@H)1OC1(O2)CCCCC1)CCCCC3
MFCD02129568
ZINC000070671665
ZINC70671665
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