Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL564383
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C26H34N2O4 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4/c1-17-4-3-7-26(2)14-24-19(13-21(17)26)20(25(29)32-24)15-27-8-10-28(11-9-27)18-5-6-22-23(12-18)31-16-30-22/h5-6,12-13,17,19-20,24H,3-4,7-11,14-16H2,1-2H3/t17-,19+,20?,24+,26+/m0/s1InChIKey
OAWPLEHDQOICEY-BVPXZTLRSA-NSynonyms
956952-33-3(3aR5S8aR9aR)3((4(13benzodioxol5yl)piperazin1yl)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(benzo(d)(13)dioxol5yl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16395785
956952333
InChI=1SC26H34N2O4c11743726(2)142419(1321(17)26)20(25(29)3224)152781028(11927)18562223(1218)31163022h56121317192024H347111416H212H3t1719+20?24+26+m0s1
MFCD32651454
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc3c(c1)OCO3)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000059408551
ZINC000061991168
Check stock
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