Vitas-M small molecule compound

ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2-phenyl-4H-pyran-3-carboxylate

Catalog ID
STK805838
SMILES CCOC(=O)C1=C(OC(=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C#N)N)c1ccccc1

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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-3-34-28(32)25-24(21(16-29)27(30)35-26(25)18-9-5-4-6-10-18)19-12-13-22(33-2)20(15-19)17-36-23-11-7-8-14-31-23/h4-15,24H,3,17,30H2,1-2H3
InChIKey
GSVAEERRPYJIHZ-UHFFFAOYSA-N
Synonyms
362589-33-1
362589331
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C#N)N)C4=CC=CC=C4
ETHYL(4R)6AMINO5CYANO4(4METHOXY3((PYRIDIN2YLSULFANYL)METHYL)PHENYL)2PHENYL4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO4(4METHOXY3((2PYRIDINYLSULFANYL)METHYL)PHENYL)2PHENYL4HPYRAN3CARBOXYLATE
ethyl6amino5cyano4(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)2phenyl4Hpyran3carboxylate
ethyl6amino5cyano4(4methoxy3((pyridin2ylthio)methyl)phenyl)2phenyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(4METHOXY3(PYRIDIN2YLSULFANYLMETHYL)PHENYL)2PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC28H25N3O4Sc133428(32)2524(21(1629)27(30)3526(25)1895461018)19121322(332)20(1519)1736231178143123h41524H31730H212H3
MFCD01450200
ZINC000000996994
ZINC000000996995

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Available files

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