Vitas-M small molecule compound

benzyl {[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate

Catalog ID
STK525588
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1c1ccc(cc1)Cl)CCC2

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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 C24H19ClN2O2S MW 434.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O2S/c25-18-11-9-17(10-12-18)23-19-7-4-8-21(19)27-24(20(23)13-26)30-15-22(28)29-14-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,14-15H2
InChIKey
QPNJNFARZCHREM-UHFFFAOYSA-N
Synonyms
340813-58-3
340813583
benzyl((4(4chlorophenyl)3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetate
BENZYL2((4(4CHLOROPHENYL)3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
benzyl2((4(4chlorophenyl)3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetate
C1CC2=C(C1)N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)SCC(=O)OCC4=CC=CC=C4
InChI=1SC24H19ClN2O2Sc251811917(101218)231974821(19)2724(20(23)1326)301522(28)2914165213616h1356912H4781415H2
MFCD00855263
PHENYLMETHYL2(4(4CHLOROPHENYL)3CYANO567TRIHYDROCYCLOPENTA(21E)PYRIDIN2YLTHIO)ACETATE
ZINC000009034249
ZINC09034249
ZINC9034249

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.