Vitas-M small molecule compound
ethyl (5E)-5-benzylidene-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK033563
SMILES CCOC(=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 C20H17NO3S MW 351.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO3S/c1-2-24-20(23)17-18(22)16(13-14-9-5-3-6-10-14)25-19(17)21-15-11-7-4-8-12-15/h3-13,21H,2H2,1H3/b16-13+InChIKey
NKFXDAVGQGEWMF-DTQAZKPQSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=CC=C3
ETHYL(5E)2ANILINO5BENZYLIDENE4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5BENZYLIDENE4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H17NO3Sc122420(23)1718(22)16(131495361014)2519(17)2115117481215h31321H2H21H3b1613+
MFCD08050379
STK033563
ZINC000000998321
ZINC00998321
ZINC998321
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