Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-acetylpiperazin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL531944
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)C)CC1=C(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 C21H32N2O3 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O3/c1-14-5-4-6-21(3)12-19-16(11-18(14)21)17(20(25)26-19)13-22-7-9-23(10-8-22)15(2)24/h16-17,19H,4-13H2,1-3H3/t16-,17?,19-,21-/m1/s1InChIKey
PEQAOFLJIARUKJ-GHWSDNEESA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4acetylpiperazin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4acetylpiperazin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)oneoxalate
16404429
InChI=1SC21H32N2O3c11454621(3)121916(1118(14)21)17(20(25)2619)13227923(10822)15(2)24h161719H413H213H3t1617?1921m1s1
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)C)CC1=C(C)CCC(C@@)1(C2)C
ZINC000020612248
ZINC000020612249
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