Vitas-M small molecule compound
ethyl (5Z)-5-(2-methoxybenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158398
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-4-27-22(25)19-20(24)18(13-15-7-5-6-8-17(15)26-3)28-21(19)23-16-11-9-14(2)10-12-16/h5-13,23H,4H2,1-3H3/b18-13-InChIKey
JRGOJNAMNZOHNI-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2OC)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)5((2METHOXYPHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2METHOXYBENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO4Sc142722(25)1920(24)18(1315756817(15)263)2821(19)231611914(2)101216h51323H4H213H3b1813
MFCD02774172
ZINC000004688348
ZINC04688348
ZINC4688348
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