Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553145
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC=C1C
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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 C23H27NO4 MW 381.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4/c1-14-4-3-7-23(2)10-21-16(9-18(14)23)17(22(25)28-21)12-24-11-15-5-6-19-20(8-15)27-13-26-19/h4-6,8-9,16-17,21,24H,3,7,10-13H2,1-2H3/t16-,17?,21-,23-/m1/s1InChIKey
PZQGPNVZQAVIQA-VMXKFYLWSA-NSynonyms
956946-47-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((13benzodioxol5ylmethylamino)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((benzo(d)(13)dioxol5ylmethyl)amino)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16398277
956946477
InChI=1SC23H27NO4c11443723(2)102116(918(14)23)17(22(25)2821)12241115561920(815)27132619h468916172124H371013H212H3t1617?2123m1s1
O=C1O(C@H)2(C@@H)(C1CNCc1ccc3c(c1)OCO3)C=C1(C@)(C2)(C)CCC=C1C
ZINC000004043438
ZINC000012661615
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