Vitas-M small molecule compound
(3a'R,5'S,5a'R,8a'S,8b'R)-N-[4-(3-methylbutoxy)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
STL553692
SMILES CC(CCOc1ccc(cc1)NC(=O)[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 C29H41NO7 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO7/c1-19(2)13-18-32-21-11-9-20(10-12-21)30-26(31)24-22-23(35-28(34-22)14-5-3-6-15-28)25-27(33-24)37-29(36-25)16-7-4-8-17-29/h9-12,19,22-25,27H,3-8,13-18H2,1-2H3,(H,30,31)/t22-,23+,24+,25-,27-/m1/s1InChIKey
DHAMEEYNAJMHET-SRFJDDQZSA-NSynonyms
450369-76-3(1S2R6R8S9R)N(4(3methylbutoxy)phenyl)dispiro(cyclohexane14(3571012)pentaoxatricyclo(7300^(26))dodecane111cyclohexane)8carboxamide
(3aR5S5aR8aS8bR)N(4(3methylbutoxy)phenyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)5carboxamide(nonpreferredname)
450369763
CC(CCOc1ccc(cc1)NC(=O)(C@H)1O(C@@H)2OC3(O(C@@H)2(C@@H)2(C@H)1OC1(O2)CCCCC1)CCCCC3)C
MFCD02129565
ZINC000070671815
ZINC70671815
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