Vitas-M small molecule compound
2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL175780
SMILES N#Cc1c(N)nc2c(c1c1sc(c(c1)COc1ccc(cc1C)Cl)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 C25H26ClN3OS MW 452.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3OS/c1-15-11-18(26)9-10-22(15)30-14-17-12-23(31-16(17)2)24-19-7-5-3-4-6-8-21(19)29-25(28)20(24)13-27/h9-12H,3-8,14H2,1-2H3,(H2,28,29)InChIKey
GKXQXZZEFRBNIC-UHFFFAOYSA-NSynonyms
438224-44-32amino4(4((4chloro2methylphenoxy)methyl)5methylthiophen2yl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
438224443
CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3=C(C(=NC4=C3CCCCCC4)N)C#N)C
InChI=1SC25H26ClN3OSc1151118(26)91022(15)3014171223(3116(17)2)241975346821(19)2925(28)20(24)1327h912H3814H212H3(H22829)
MFCD03074825
ZINC000019841762
ZINC19841762
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