Vitas-M small molecule compound

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

Catalog ID
STL335666
SMILES COC(=O)CSc1nc2CCCc2c(c1C#N)c1ccc(cc1)OC

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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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-23-13-8-6-12(7-9-13)18-14-4-3-5-16(14)21-19(15(18)10-20)25-11-17(22)24-2/h6-9H,3-5,11H2,1-2H3
InChIKey
DVHZOHXQTSUMHA-UHFFFAOYSA-N
Synonyms
500275-43-4
500275434
COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)OC)C#N
InChI=1SC19H18N2O3Sc123138612(7913)181443516(14)2119(15(18)1020)251117(22)242h69H3511H212H3
METHYL((3CYANO4(4METHOXYPHENYL)67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
METHYL2((3CYANO4(4METHOXYPHENYL)67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
methyl2((3cyano4(4methoxyphenyl)67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetate
ZINC02354297
ZINC2354297

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Available files

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