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-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Catalog ID
STK525684
SMILES CCOC(=O)C1=C(CSc2nc3CCN(Cc3cc2C#N)C)OC(=C(C1c1ccccc1C(F)(F)F)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 C27H24F3N5O3S MW 555.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3N5O3S/c1-3-37-26(36)23-21(14-39-25-15(11-31)10-16-13-35(2)9-8-20(16)34-25)38-24(33)18(12-32)22(23)17-6-4-5-7-19(17)27(28,29)30/h4-7,10,22H,3,8-9,13-14,33H2,1-2H3InChIKey
HPBDTBQUFCIMAT-UHFFFAOYSA-NSynonyms
340817-61-0340817610
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)N)CSC3=NC4=C(CN(CC4)C)C=C3C#N
ethyl6amino5cyano2(((3cyano6methyl5678tetrahydro16naphthyridin2yl)sulfanyl)methyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6methyl5678tetrahydro16naphthyridin2yl)thio)methyl)4(2(trifluoromethyl)phenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6METHYL78DIHYDRO5H16NAPHTHYRIDIN2YL)SULFANYLMETHYL)4(2(TRIFLUOROMETHYL)PHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC27H24F3N5O3Sc133726(36)2321(14392515(1131)10161335(2)9820(16)3425)3824(33)18(1232)22(23)17645719(17)27(2829)30h471022H389131433H212H3
MFCD01558553
ZINC000012859222
ZINC000012859231
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