Vitas-M small molecule compound
(1R,5R)-3-{2-hydroxy-3-[(4-hydroxyphenyl)amino]propyl}-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium
Catalog ID
STL553171
SMILES Oc1ccc(cc1)NCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O
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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 C20H26N3O3 MW 356.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3/c24-17-6-4-16(5-7-17)21-9-18(25)13-22-10-14-8-15(12-22)19-2-1-3-20(26)23(19)11-14/h1-7,14-15,18,21,24-25H,8-13H2/p+1/t14-,15+,18?/m0/s1InChIKey
LFHHUAMCQMHXQL-DYNVDGSKSA-OSynonyms
(1~(R)9~(R))11(2hydroxy3(4hydroxyanilino)propyl)7aza11azoniatricyclo(7310^(27))trideca24dien6one
(1R5R)3(2hydroxy3((4hydroxyphenyl)amino)propyl)8oxo134568hexahydro2H15methanopyrido(12a)(15)diazocin3ium
126961515
InChI=1SC20H25N3O3c24176416(5717)21918(25)13221014815(1222)1921320(26)23(19)1114h17141518212425H813H2p+1t1415+18?m0s1
ZINC000001323414
ZINC000005757179
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