Vitas-M small molecule compound
3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL338754
SMILES COc1cccc(c1)N1CCN(CC1)CC1C(=O)OC2C1CC1=C(C)CCCC1(C2)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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,7-8,14,21-22,24H,5-6,9-13,15-17H2,1-3H3InChIKey
HWHLLITUISOPCT-UHFFFAOYSA-NSynonyms
(3S3aR8aR9aR)3((4(3methoxyphenyl)piperazin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
3((4(3methoxyphenyl)piperazin1yl)methyl)58adimethyl33a467899aoctahydrobenzo(f)(1)benzofuran2one
3((4(3methoxyphenyl)piperazin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3CN4CCN(CC4)C5=CC(=CC=C5)OC
COc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1=C(C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c11865926(2)162421(1523(18)26)22(25(29)3124)1727101228(131127)1974820(1419)303h47814212224H569131517H213H3
MFCD28032285
ZINC000013751067
ZINC000245310111
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