Vitas-M small molecule compound
2-bromo-6-methoxy-3-[(8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl)methyl]phenolate
Catalog ID
STL528370
SMILES COc1ccc(c(c1[O-])Br)C[NH+]1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C19H21BrN2O3 MW 405.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O3/c1-25-16-6-5-13(18(20)19(16)24)10-21-8-12-7-14(11-21)15-3-2-4-17(23)22(15)9-12/h2-6,12,14,24H,7-11H2,1H3InChIKey
TUVXIMBJINJKCP-UHFFFAOYSA-NSynonyms
2bromo6methoxy3((6oxo7aza11azoniatricyclo(7310^(27))trideca24dien11yl)methyl)phenolate
2bromo6methoxy3((8oxo13568pentahydro2H15methanopyrido(12a)(15)diazocin3ium3(4H)yl)methyl)phenolate
3356440
InChI=1SC19H21BrN2O3c125166513(18(20)19(16)24)1021812714(1121)1532417(23)22(15)912h26121424H711H21H3
MFCD31753856
ZINC000006646294
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