Vitas-M small molecule compound
2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL175656
SMILES N#Cc1c(N)nc2c(c1c1sc(c(c1)COc1ccc(cc1Cl)F)C)CCCCCC2
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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 C24H23ClFN3OS MW 455.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClFN3OS/c1-14-15(13-30-21-9-8-16(26)11-19(21)25)10-22(31-14)23-17-6-4-2-3-5-7-20(17)29-24(28)18(23)12-27/h8-11H,2-7,13H2,1H3,(H2,28,29)InChIKey
ACTWNHSMNVPIDE-UHFFFAOYSA-NSynonyms
438217-35-72amino4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
438217357
CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)COC4=C(C=C(C=C4)F)Cl
InChI=1SC24H23ClFN3OSc11415(1330219816(26)1119(21)25)1022(3114)231764235720(17)2924(28)18(23)1227h811H2713H21H3(H22829)
MFCD03312598
ZINC000019841504
ZINC19841504
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