Vitas-M small molecule compound
methyl (5E)-5-benzylidene-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158439
SMILES COC(=O)C1=C(Nc2ccccc2)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 C19H15NO3S MW 337.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO3S/c1-23-19(22)16-17(21)15(12-13-8-4-2-5-9-13)24-18(16)20-14-10-6-3-7-11-14/h2-12,20H,1H3/b15-12+InChIKey
WNEKJLWVQKMLPG-NTCAYCPXSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2)C1=O
COC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=CC=C3
InChI=1SC19H15NO3Sc12319(22)1617(21)15(12138425913)2418(16)2014106371114h21220H1H3b1512+
METHYL(5E)2ANILINO5BENZYLIDENE4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5BENZYLIDENE4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679403
ZINC000000458597
ZINC00458597
ZINC458597
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