Vitas-M small molecule compound
4-bromo-2-[(E)-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]-6-methoxyphenolate
Catalog ID
STK564719
SMILES CCOC(=O)c1c(/N=C/c2cc(Br)cc(c2[O-])OC)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 C19H21BrN2O4S MW 453.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O4S/c1-4-26-19(24)16-13-5-6-22(2)10-15(13)27-18(16)21-9-11-7-12(20)8-14(25-3)17(11)23/h7-9,23H,4-6,10H2,1-3H3/b21-9+InChIKey
MJUCADPLJDBFPJ-ZVBGSRNCSA-NSynonyms
4bromo2((E)((3(ethoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)6methoxyphenolate
4bromo2((E)(3ethoxycarbonyl6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)iminomethyl)6methoxyphenolate
CCOC(=O)C1=C(SC2=C1CC(NH+)(C2)C)N=CC3=CC(=CC(=C3(O))OC)Br
CCOC(=O)c1c(N=Cc2cc(Br)cc(c2(O))OC)sc2c1CC(NH+)(C2)C
InChI=1SC19H21BrN2O4Sc142619(24)16135622(2)1015(13)2718(16)21911712(20)814(253)17(11)23h7923H4610H213H3b219+
MFCD01147340
ZINC000009299935
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