Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-5-methylene-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL530754
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)CC1[C@](C2)(C)CCCC1=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/h4,7-8,17-20H,1,3,5-6,9-15H2,2H3/t17-,18?,19?,20-,23-/m1/s1InChIKey
XYKSVNDXUQWESH-GGPJSNFESA-NSynonyms
956817-24-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((4pyrimidin2ylpiperazin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)8amethyl5methylene3((4(pyrimidin2yl)piperazin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
16403631
956817246
InChI=1SC23H32N4O2c11653623(2)142017(1319(16)23)18(21(28)2920)152691127(121026)22247482522h4781720H1356915H22H3t1718?19?2023m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)CC1(C@)(C2)(C)CCCC1=C
ZINC000061997754
ZINC000061997757
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