Vitas-M small molecule compound
(1R,5R)-3-[3-(2,6-dibromo-4-methylphenoxy)-2-hydroxypropyl]-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium
Catalog ID
STL553177
SMILES Cc1cc(Br)c(c(c1)Br)OCC(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 C21H25Br2N2O3 MW 513.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24Br2N2O3/c1-13-5-17(22)21(18(23)6-13)28-12-16(26)11-24-8-14-7-15(10-24)19-3-2-4-20(27)25(19)9-14/h2-6,14-16,26H,7-12H2,1H3/p+1/t14-,15+,16?/m0/s1InChIKey
KEIZTNGUQYYXTI-QMRHZFGWSA-OSynonyms
(1~(R)9~(R))11(3(26dibromo4methylphenoxy)2hydroxypropyl)7aza11azoniatricyclo(7310^(27))trideca24dien6one
(1R5R)3(3(26dibromo4methylphenoxy)2hydroxypropyl)8oxo134568hexahydro2H15methanopyrido(12a)(15)diazocin3ium
135640891
InChI=1SC21H24Br2N2O3c113517(22)21(18(23)613)281216(26)1124814715(1024)1932420(27)25(19)914h26141626H712H21H3p+1t1415+16?m0s1
ZINC000001839055
ZINC000001839056
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