Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK747497
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-2-33-27(32)24-22(34-25(30)20(15-29)23(24)17-9-5-3-6-10-17)16-35-26-19(14-28)13-18-11-7-4-8-12-21(18)31-26/h3,5-6,9-10,13,23H,2,4,7-8,11-12,16,30H2,1H3InChIKey
KPWIOWCNKXTTJS-UHFFFAOYSA-NSynonyms
336180-72-4336180724
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4phenyl4Hpyran3carboxylate
InChI=1SC27H26N4O3Sc123327(32)2422(3425(30)20(1529)23(24)1795361017)16352619(1428)1318117481221(18)3126h3569101323H247811121630H21H3
MFCD00742399
ZINC000000714304
ZINC000000714306
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