Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK700704
SMILES CCOC(=O)C1=C(CSc2nc3CCN(Cc3cc2C#N)C)OC(=C(C1c1ccccc1)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 C26H25N5O3S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3S/c1-3-33-26(32)23-21(34-24(29)19(13-28)22(23)16-7-5-4-6-8-16)15-35-25-17(12-27)11-18-14-31(2)10-9-20(18)30-25/h4-8,11,22H,3,9-10,14-15,29H2,1-2H3InChIKey
XCDSOFQHFOYYDD-UHFFFAOYSA-NSynonyms
327166-82-5327166825
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N
ethyl6amino5cyano2(((3cyano6methyl5678tetrahydro16naphthyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6methyl5678tetrahydro16naphthyridin2yl)thio)methyl)4phenyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6METHYL78DIHYDRO5H16NAPHTHYRIDIN2YL)SULFANYLMETHYL)4PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC26H25N5O3Sc133326(32)2321(3424(29)19(1328)22(23)167546816)15352517(1227)11181431(2)10920(18)3025h481122H3910141529H212H3
MFCD01416723
ZINC000020230599
ZINC000020230602
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