Vitas-M small molecule compound
6-fluoro-4-({2-[(6-fluoro-2-methylquinolinium-4-yl)sulfanyl]ethyl}amino)-2-methylquinolinium
Catalog ID
STL129499
SMILES Fc1ccc2c(c1)c(NCCSc1cc(C)[nH+]c3c1cc(F)cc3)cc([nH+]2)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 C22H21F2N3S MW 397.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F2N3S/c1-13-9-21(17-11-15(23)3-5-19(17)26-13)25-7-8-28-22-10-14(2)27-20-6-4-16(24)12-18(20)22/h3-6,9-12H,7-8H2,1-2H3,(H,25,26)/p+2InChIKey
LJXARNVIAXUVJG-UHFFFAOYSA-PSynonyms
6fluoro4((2((6fluoro2methylquinolinium4yl)sulfanyl)ethyl)amino)2methylquinolinium
6fluoroN(2(6fluoro2methylquinolin1ium4yl)sulfanylethyl)2methylquinolin1ium4amine
CC1=(NH+)C2=C(C=C(C=C2)F)C(=C1)NCCSC3=CC(=(NH+)C4=C3C=C(C=C4)F)C
Fc1ccc2c(c1)c(NCCSc1cc(C)(nH+)c3c1cc(F)cc3)cc((nH+)2)C
InChI=1SC22H19F2N3Sc113921(171115(23)3519(17)2613)257828221014(2)27206416(24)1218(20)22h36912H78H212H3(H2526)p+2
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