Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-acetylpiperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL530583
SMILES CC(=O)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[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 C21H32N2O4 MW 376.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O4/c1-14(24)23-8-6-22(7-9-23)12-16-15-10-18-20(2,11-17(15)27-19(16)25)4-3-5-21(18)13-26-21/h15-18H,3-13H2,1-2H3/t15-,16?,17-,18?,20-,21?/m1/s1InChIKey
DWCCFNDVHQOIKI-IYLGVABLSA-NSynonyms
1214626-14-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4acetylpiperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4acetylpiperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1214626148
16404555
CC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC21H32N2O4c114(24)238622(7923)121615101820(21117(15)2719(16)25)43521(18)132621h1518H313H212H3t1516?1718?2021?m1s1
ZINC000020612305
ZINC000082051260
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