Simeprevir sodium

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Catalog Number	I009489
Molecular Formula	C38H46N5NaO7S2
CAS#	1241946-89-3
Purity	≥95%
Inchi	InChI=1S/C38H47N5O7S2.Na/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25;/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5
Inchi Key	LLXQGDWGCCKOQP-MVZLLIIPSA-M
SMILES	O=C([N-]S(=O)(C1CC1)=O)[C@]23NC([C@@](C[C@@H](OC4=CC(C5=NC(C(C)C)=CS5)=NC6=C(C)C(OC)=CC=C46)C7)([H])[C@]7([H])C(N(C)CCCC/C=C[C@]2([H])C3)=O)=O.[Na+]
Size	1mg
Supplier Page	https://www.musechem.com/product/I009489.html