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-(2-fluorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK546685
SMILES CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#N)OC(=C(C1c1ccccc1F)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 C25H21FN4O3S MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN4O3S/c1-2-32-25(31)22-20(13-34-24-15(11-27)10-14-6-5-9-19(14)30-24)33-23(29)17(12-28)21(22)16-7-3-4-8-18(16)26/h3-4,7-8,10,21H,2,5-6,9,13,29H2,1H3InChIKey
WHKDFRGGPMEDSQ-UHFFFAOYSA-NSynonyms
445384-80-5445384805
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=C(CCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)4(2fluorophenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)methyl)4(2fluorophenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC25H21FN4O3Sc123225(31)2220(13342415(1127)101465919(14)3024)3323(29)17(1228)21(22)16734818(16)26h34781021H25691329H21H3
MFCD03076008
ZINC000000663605
ZINC000000663606
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