Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((4-fluorobenzyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL532403
SMILES Fc1ccc(cc1)CNCC1C(=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 C22H28FNO3 MW 373.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28FNO3/c1-21-7-2-8-22(13-26-22)19(21)9-16-17(20(25)27-18(16)10-21)12-24-11-14-3-5-15(23)6-4-14/h3-6,16-19,24H,2,7-13H2,1H3/t16-,17?,18-,19?,21-,22?/m1/s1InChIKey
JHLRTSHNUXYPOF-YFUYKQCESA-NSynonyms
1212458-14-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((4fluorophenyl)methylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((4fluorobenzyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212458144
16404448
Fc1ccc(cc1)CNCC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC22H28FNO3c12172822(132622)19(21)91617(20(25)2718(16)1021)122411143515(23)6414h36161924H2713H21H3t1617?1819?2122?m1s1
ZINC000004085338
ZINC000082051249
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