Vitas-M small molecule compound
ethyl 6-amino-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK870583
SMILES CCOC(=O)C1=C(CSc2ccc(cc2)Cl)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 C22H18ClFN2O3S MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O3S/c1-2-28-22(27)20-18(12-30-14-9-7-13(23)8-10-14)29-21(26)16(11-25)19(20)15-5-3-4-6-17(15)24/h3-10,19H,2,12,26H2,1H3InChIKey
VGXRXJVGDNSTKV-UHFFFAOYSA-NSynonyms
370574-36-0370574360
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=CC=C(C=C3)Cl
ethyl6amino2(((4chlorophenyl)sulfanyl)methyl)5cyano4(2fluorophenyl)4Hpyran3carboxylate
ETHYL6AMINO2(((4CHLOROPHENYL)THIO)METHYL)5CYANO4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO2((4CHLOROPHENYL)SULFANYLMETHYL)5CYANO4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO2((4CHLOROPHENYLTHIO)METHYL)5CYANO4(2FLUOROPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC22H18ClFN2O3Sc122822(27)2018(1230149713(23)81014)2921(26)16(1125)19(20)15534617(15)24h31019H21226H21H3
MFCD03011099
ZINC000002316494
ZINC000002316495
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