Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-8a-methyl-3-((4-(pyrimidin-2-yl)piperazin-1-yl)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL533615
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ncccn1)CC1[C@](C2)(C)CCCC21OC2
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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 C23H32N4O3 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O3/c1-22-4-2-5-23(15-29-23)19(22)12-16-17(20(28)30-18(16)13-22)14-26-8-10-27(11-9-26)21-24-6-3-7-25-21/h3,6-7,16-19H,2,4-5,8-15H2,1H3/t16-,17?,18-,19?,22-,23?/m1/s1InChIKey
BUWIFPKVTZBSPO-CPNIFHAJSA-NSynonyms
1212466-00-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4pyrimidin2ylpiperazin1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)8amethyl3((4(pyrimidin2yl)piperazin1yl)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212466006
16404479
InChI=1SC23H32N4O3c12242523(152923)19(22)121617(20(28)3018(16)1322)142681027(11926)21246372521h3671619H245815H21H3t1617?1819?2223?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ncccn1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000061999354
ZINC000082051437
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Check stock on Vitas-MAvailable files
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