Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(2,3-dichlorophenyl)-2-{[(4-methylphenyl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK540945
SMILES CCOC(=O)C1=C(CSc2ccc(cc2)C)OC(=C(C1c1cccc(c1Cl)Cl)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 C23H20Cl2N2O3S MW 475.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl2N2O3S/c1-3-29-23(28)20-18(12-31-14-9-7-13(2)8-10-14)30-22(27)16(11-26)19(20)15-5-4-6-17(24)21(15)25/h4-10,19H,3,12,27H2,1-2H3InChIKey
YBPQPIPYQYSOJD-UHFFFAOYSA-NSynonyms
354555-01-4354555014
CCOC(=O)C1=C(OC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C#N)N)CSC3=CC=C(C=C3)C
ethyl6amino5cyano4(23dichlorophenyl)2(((4methylphenyl)sulfanyl)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(23DICHLOROPHENYL)2((4METHYLPHENYL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
ethyl6amino5cyano4(23dichlorophenyl)2((ptolylthio)methyl)4Hpyran3carboxylate
InChI=1SC23H20Cl2N2O3Sc132923(28)2018(1231149713(2)81014)3022(27)16(1126)19(20)1554617(24)21(15)25h41019H31227H212H3
MFCD02070309
ZINC000002319359
ZINC000002319360
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