Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-5,8a-dimethyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL530759
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)C=C1[C@](C2)(C)CCC=C1C
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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 C23H30N4O2 MW 394.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O2/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/h4-5,7-8,13,17-18,20H,3,6,9-12,14-15H2,1-2H3/t17-,18?,20-,23-/m1/s1InChIKey
OIVSDSZMJGFJMJ-NOJOORHWSA-NSynonyms
956975-46-5(3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4pyrimidin2ylpiperazin1yl)methyl)33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)58adimethyl3((4(pyrimidin2yl)piperazin1yl)methyl)33a88a99ahexahydronaphtho(23b)furan2(7H)one
16404126
956975465
InChI=1SC23H30N4O2c11653623(2)142017(1319(16)23)18(21(28)2920)152691127(121026)22247482522h457813171820H369121415H212H3t1718?2023m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)C=C1(C@)(C2)(C)CCC=C1C
ZINC000061999322
ZINC000061999323
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