Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173021
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CCC2)c1ccccc1C(F)(F)F
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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 C30H25F3N4O2S MW 562.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25F3N4O2S/c1-39-25-13-12-18(15-19(25)17-40-26-11-4-5-14-36-26)27-20(16-34)29(35)37(23-9-6-10-24(38)28(23)27)22-8-3-2-7-21(22)30(31,32)33/h2-5,7-8,11-15,27H,6,9-10,17,35H2,1H3InChIKey
LCMAQUWOPVHYJP-UHFFFAOYSA-NSynonyms
515151-68-52amino4(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3(pyridin2ylsulfanylmethyl)phenyl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
515151685
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)CSC5=CC=CC=N5
InChI=1SC30H25F3N4O2Sc13925131218(1519(25)1740261145143626)2720(1634)29(35)37(23961024(38)28(23)27)22832721(22)30(3132)33h2578111527H69101735H21H3
MFCD03758463
ZINC000008450622
ZINC000008450623
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