Vitas-M small molecule compound
2-bromo-6-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-methylbenzenesulfonate
Catalog ID
STL382908
SMILES CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C(=S)N1CCCCC1
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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 C21H24BrNO4S2 MW 498.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO4S2/c1-3-26-19-14-16(21(28)23-11-5-4-6-12-23)13-18(22)20(19)27-29(24,25)17-9-7-15(2)8-10-17/h7-10,13-14H,3-6,11-12H2,1-2H3InChIKey
OQNIOWJQBQTTKJ-UHFFFAOYSA-NSynonyms
(2BROMO6ETHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYLBENZENESULFONATE
2bromo6ethoxy4(piperidin1ylcarbonothioyl)phenyl4methylbenzenesulfonate
CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OS(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC21H24BrNO4S2c1326191416(21(28)23115461223)1318(22)20(19)2729(2425)179715(2)81017h7101314H361112H212H3
MFCD01819589
ZINC000034966375
ZINC34966375
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