Vitas-M small molecule compound
2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STL175655
SMILES N#Cc1c(N)nc2c(c1c1cc(c(s1)C)COc1ccc(cc1Cl)F)CCCCC2
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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 C23H21ClFN3OS MW 441.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClFN3OS/c1-13-14(12-29-20-8-7-15(25)10-18(20)24)9-21(30-13)22-16-5-3-2-4-6-19(16)28-23(27)17(22)11-26/h7-10H,2-6,12H2,1H3,(H2,27,28)InChIKey
RMTPDEIIPQRWGJ-UHFFFAOYSA-NSynonyms
2amino4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=C(C=C(C=C4)F)Cl
InChI=1SC23H21ClFN3OSc11314(1229208715(25)1018(20)24)921(3013)22165324619(16)2823(27)17(22)1126h710H2612H21H3(H22728)
MFCD03312597
ZINC000019841551
ZINC19841551
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