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ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate

Catalog ID
STK669132
SMILES CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#N)OC(=C(C1c1cccc(c1)OCc1ccccc1)C#N)N

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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 C32H28N4O4S MW 564.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O4S/c1-2-38-32(37)29-27(19-41-31-23(16-33)14-21-10-7-13-26(21)36-31)40-30(35)25(17-34)28(29)22-11-6-12-24(15-22)39-18-20-8-4-3-5-9-20/h3-6,8-9,11-12,14-15,28H,2,7,10,13,18-19,35H2,1H3
InChIKey
XBBVNVISAZTBKB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC5=C(CCC5)C=C4C#N
ETHYL(4R)6AMINO4(3(BENZYLOXY)PHENYL)5CYANO2(((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
ethyl6amino4(3(benzyloxy)phenyl)5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(3(benzyloxy)phenyl)5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)4(3PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC32H28N4O4Sc123832(37)2927(19413123(1633)14211071326(21)3631)4030(35)25(1734)28(29)221161224(1522)3918208435920h36891112141528H271013181935H21H3
MFCD00742695
ZINC000001875677
ZINC000033354130

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Available files

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