Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]methyl}-4-(2-fluorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK788623
SMILES CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2ccccc2)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 C28H21FN4O3S MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN4O3S/c1-2-35-28(34)25-23(36-26(32)20(15-31)24(25)19-10-6-7-11-21(19)29)16-37-27-18(14-30)12-13-22(33-27)17-8-4-3-5-9-17/h3-13,24H,2,16,32H2,1H3InChIKey
XWAIAAVUIKMLID-UHFFFAOYSA-NSynonyms
370572-84-2370572842
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N
ethyl6amino5cyano2(((3cyano6phenylpyridin2yl)sulfanyl)methyl)4(2fluorophenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6phenylpyridin2yl)thio)methyl)4(2fluorophenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6PHENYL(2PYRIDYLTHIO))METHYL)4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO2((3CYANO6PHENYLPYRIDIN2YL)SULFANYLMETHYL)4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC28H21FN4O3Sc123528(34)2523(3626(32)20(1531)24(25)1910671121(19)29)16372718(1430)121322(3327)178435917h31324H21632H21H3
MFCD03010992
ZINC000008744386
ZINC000008744387
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