Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-5,8a-dimethyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one oxalate
Catalog ID
STL530188
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)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 C23H32N4O2 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O2/c1-16-5-3-6-23(2)14-20-17(13-19(16)23)18(21(28)29-20)15-26-9-11-27(12-10-26)22-24-7-4-8-25-22/h4,7-8,17-18,20H,3,5-6,9-15H2,1-2H3/t17-,18?,20-,23-/m1/s1InChIKey
MHZZOJLQEQTWPH-NOJOORHWSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4pyrimidin2ylpiperazin1yl)methyl)33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)58adimethyl3((4(pyrimidin2yl)piperazin1yl)methyl)3a46788a99aoctahydronaphtho(23b)furan2(3H)oneoxalate
16404686
InChI=1SC23H32N4O2c11653623(2)142017(1319(16)23)18(21(28)2920)152691127(121026)22247482522h478171820H356915H212H3t1718?2023m1s1
OC(=O)C(=O)OO=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)CC1=C(C)CCC(C@@)1(C2)C
ZINC000061999389
ZINC000061999391
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