Vitas-M small molecule compound
2-bromo-6-methoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STK067160
SMILES COc1cc(cc(c1OC(=O)c1cccc(c1)[N+](=O)[O-])Br)C(=S)N1CCOCC1
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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 C19H17BrN2O6S MW 481.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O6S/c1-26-16-11-13(18(29)21-5-7-27-8-6-21)10-15(20)17(16)28-19(23)12-3-2-4-14(9-12)22(24)25/h2-4,9-11H,5-8H2,1H3InChIKey
QVCQDDFGDILKNO-UHFFFAOYSA-NSynonyms
(2BROMO6METHOXY4(MORPHOLINE4CARBOTHIOYL)PHENYL)3NITROBENZOATE
2BROMO6METHOXY4(MORPHOLIN4YLCARBONOTHIOYL)PHENYL3NITROBENZOATE
COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1cc(cc(c1OC(=O)c1cccc(c1)(N+)(=O)(O))Br)C(=S)N1CCOCC1
InChI=1SC19H17BrN2O6Sc126161113(18(29)2157278621)1015(20)17(16)2819(23)1232414(912)22(24)25h24911H58H21H3
MFCD02301871
STK067160
ZINC000009553951
ZINC09553951
ZINC9553951
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