Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK747507
SMILES CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-2-31-25(30)22-20(14-33-24-17(12-26)11-16-9-6-10-19(16)29-24)32-23(28)18(13-27)21(22)15-7-4-3-5-8-15/h3-5,7-8,11,21H,2,6,9-10,14,28H2,1H3InChIKey
QSBPYAFCPSJXAD-UHFFFAOYSA-NSynonyms
328068-80-0328068800
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)methyl)4phenyl4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO(567TRIHYDROCYCLOPENTA(12E)PYRIDIN2YLTHIO))METHYL)4PHENYL4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)4PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC25H22N4O3Sc123125(30)2220(14332417(1226)1116961019(16)2924)3223(28)18(1327)21(22)157435815h35781121H269101428H21H3
MFCD00742409
ZINC000000714310
ZINC000003088084
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