Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-(3-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158424
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2cccc(c2)OC)/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(12-13-5-4-6-16(11-13)26-2)28-20(18)23-15-9-7-14(22)8-10-15/h4-12,23H,3H2,1-2H3/b17-12+InChIKey
FLJGRLSNUYNPGI-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(3METHOXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO4Sc132721(25)1819(24)17(121354616(1113)262)2820(18)23159714(22)81015h41223H3H212H3b1712+
MFCD08679392
ZINC000002898922
ZINC02898922
ZINC2898922
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