Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(4-methoxyphenyl)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
STL525508
SMILES COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(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/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h6-9,15,18,21-22,24H,4-5,10-14,16-17H2,1-3H3/t18-,21+,22?,24+,26+/m0/s1InChIKey
NEMYITZDZJMTDV-MGHPVJJLSA-NSynonyms
956999-50-1(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(4methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(4methoxyphenyl)piperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16395992
956999501
COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c118541026(2)162421(1523(18)26)22(25(29)3124)1727111328(141227)196820(303)9719h691518212224H4510141617H213H3t1821+22?24+26+m0s1
MFCD32649801
ZINC000061991182
ZINC000061991183
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