Vitas-M small molecule compound
2-bromo-4-chloro-6-[(E)-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Catalog ID
STK563986
SMILES CCOC(=O)c1c(/N=C/c2cc(Cl)cc(c2[O-])Br)sc2c1CC[NH+](C2)C
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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 C18H18BrClN2O3S MW 457.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrClN2O3S/c1-3-25-18(24)15-12-4-5-22(2)9-14(12)26-17(15)21-8-10-6-11(20)7-13(19)16(10)23/h6-8,23H,3-5,9H2,1-2H3/b21-8+InChIKey
WTHHVCPGXSCGFB-ODCIPOBUSA-NSynonyms
2bromo4chloro6((E)((3(ethoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
2bromo4chloro6((E)(3ethoxycarbonyl6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)phenolate
CCOC(=O)C1=C(SC2=C1CC(NH+)(C2)C)N=CC3=CC(=CC(=C3(O))Br)Cl
CCOC(=O)c1c(N=Cc2cc(Cl)cc(c2(O))Br)sc2c1CC(NH+)(C2)C
InChI=1SC18H18BrClN2O3Sc132518(24)15124522(2)914(12)2617(15)21810611(20)713(19)16(10)23h6823H359H212H3b218+
MFCD01147346
ZINC000019949366
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