Vitas-M small molecule compound
methyl (5E)-5-(3-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158451
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(c2)O)/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 C19H15NO4S MW 353.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO4S/c1-24-19(23)16-17(22)15(11-12-6-5-9-14(21)10-12)25-18(16)20-13-7-3-2-4-8-13/h2-11,20-21H,1H3/b15-11+InChIKey
QACUBQWCGAZUDO-RVDMUPIBSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2)O)C1=O
COC(=O)C1=C(SC(=CC2=CC(=CC=C2)O)C1=O)NC3=CC=CC=C3
InChI=1SC19H15NO4Sc12419(23)1617(22)15(111265914(21)1012)2518(16)20137324813h2112021H1H3b1511+
METHYL(5E)2ANILINO5((3HYDROXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(3HYDROXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679414
ZINC000001171818
ZINC01171818
ZINC1171818
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