Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-(2-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK057702
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccccc2OC)/C1=O
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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 C21H18ClNO4S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4S/c1-3-27-21(25)18-19(24)17(12-13-6-4-5-7-16(13)26-2)28-20(18)23-15-10-8-14(22)9-11-15/h4-12,23H,3H2,1-2H3/b17-12+InChIKey
VNLRWNCOBXXCGW-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccccc2OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(2METHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5E)2(4chloroanilino)5((2methoxyphenyl)methylidene)4oxothiophene3carboxylate
InChI=1SC21H18ClNO4Sc132721(25)1819(24)17(1213645716(13)262)2820(18)231510814(22)91115h41223H3H212H3b1712+
MFCD08051396
STK057702
ZINC000006891668
ZINC06891668
ZINC6891668
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