Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-8a-methyl-3-((4-methylpiperazin-1-yl)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL526376
SMILES CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2
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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 C20H32N2O3 MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O3/c1-19-4-3-5-20(13-24-20)17(19)10-14-15(18(23)25-16(14)11-19)12-22-8-6-21(2)7-9-22/h14-17H,3-13H2,1-2H3/t14-,15?,16-,17?,19-,20+/m1/s1InChIKey
RDVWTAVXWLTMGB-BODLZZQJSA-NSynonyms
957019-12-4(2R3S3aR8aR9aR)8amethyl3((4methylpiperazin1yl)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4methylpiperazin1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16397052
957019124
CN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC20H32N2O3c11943520(132420)17(19)101415(18(23)2516(14)1119)12228621(2)7922h1417H313H212H3t1415?1617?1920+m1s1
ZINC000020112159
ZINC000020112165
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