Vitas-M small molecule compound
ethyl (5E)-5-benzylidene-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK049450
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C/c2ccccc2)/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 C20H16ClNO3S MW 385.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO3S/c1-2-25-20(24)17-18(23)16(11-13-7-4-3-5-8-13)26-19(17)22-15-10-6-9-14(21)12-15/h3-12,22H,2H2,1H3/b16-11+InChIKey
LAPPTZGEDRSWIQ-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC(=CC=C3)Cl
ETHYL(5E)5BENZYLIDENE2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)5BENZYLIDENE2(3CHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H16ClNO3Sc122520(24)1718(23)16(11137435813)2619(17)2215106914(21)1215h31222H2H21H3b1611+
MFCD02212594
STK049450
ZINC000002899932
ZINC02899932
ZINC2899932
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