Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((2,6-dimethylmorpholino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL525992
SMILES CC1OC(C)CN(C1)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 C21H33NO4 MW 363.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO4/c1-13-9-22(10-14(2)25-13)11-16-15-7-18-20(3,8-17(15)26-19(16)23)5-4-6-21(18)12-24-21/h13-18H,4-12H2,1-3H3/t13?,14?,15-,16?,17-,18?,20-,21?/m1/s1InChIKey
ZHQRYBIJOKTXQH-GHOTVQJBSA-NSynonyms
1212448-48-0(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((26dimethylmorpholin4yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((26dimethylmorpholino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212448480
16396631
CC1OC(C)CN(C1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC21H33NO4c113922(1014(2)2513)11161571820(3817(15)2619(16)23)54621(18)122421h1318H412H213H3t13?14?1516?1718?2021?m1s1
ZINC000229992485
ZINC000252695393
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