Vitas-M small molecule compound
ethyl (5Z)-2-[(2,4-dichlorophenyl)amino]-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK092418
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)O)OC)/C1=O)Nc1ccc(cc1Cl)Cl
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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 C21H17Cl2NO5S MW 466.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO5S/c1-3-29-21(27)18-19(26)17(9-11-4-7-16(28-2)15(25)8-11)30-20(18)24-14-6-5-12(22)10-13(14)23/h4-10,24-25H,3H2,1-2H3/b17-9-InChIKey
YWYQQAXZGUHWCX-MFOYZWKCSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OC)O)C1=O)NC3=C(C=C(C=C3)Cl)Cl
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)O)OC)C1=O)Nc1ccc(cc1Cl)Cl
ETHYL(5Z)2((24DICHLOROPHENYL)AMINO)5(3HYDROXY4METHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(24DICHLOROANILINO)5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H17Cl2NO5Sc132921(27)1819(26)17(9114716(282)15(25)811)3020(18)24146512(22)1013(14)23h4102425H3H212H3b179
MFCD08680020
STK092418
ZINC000013894947
ZINC13894947
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