Vitas-M small molecule compound
(1R,7aR)-1-hydroxy-7-({[(2S)-2-hydroxy-3-methoxy-2-(propan-2-yl)butanoyl]oxy}methyl)-4-methyl-2,3,5,7a-tetrahydro-1H-pyrrolizinium
Catalog ID
STL553356
SMILES COC([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)C)(C(C)C)O)C
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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 C17H30NO5 MW 328.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H30NO5/c1-11(2)17(21,12(3)22-5)16(20)23-10-13-6-8-18(4)9-7-14(19)15(13)18/h6,11-12,14-15,19,21H,7-10H2,1-5H3/q+1/t12?,14-,15-,17+,18?/m1/s1InChIKey
ATTSKHOTAFAWSP-ZQZXXDKUSA-NSynonyms
((7~(R)8~(R))7hydroxy4methyl5678tetrahydro3~(H)pyrrolizin4ium1yl)methyl(2~(S))2hydroxy2(1methoxyethyl)3methylbutanoate
(1R7aR)1hydroxy7((((2S)2hydroxy2isopropyl3methoxybutanoyl)oxy)methyl)4methyl123457ahexahydropyrrolizin4iumiodide
(1R7aR)1hydroxy7((((2S)2hydroxy3methoxy2(propan2yl)butanoyl)oxy)methyl)4methyl2357atetrahydro1Hpyrrolizinium
42648954
COC((C@)(C(=O)OCC1=CC(N+)2((C@H)1(C@H)(O)CC2)C)(C(C)C)O)C(I)
InChI=1SC17H30NO5c111(2)17(2112(3)225)16(20)2310136818(4)9714(19)15(13)18h6111214151921H710H215H3q+1t12?141517+18?m1s1
ZINC000252459998
ZINC000252460001
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