Vitas-M small molecule compound

ethyl (5E)-5-(3,4-dichlorobenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK024816
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(c(c2)Cl)Cl)/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 C20H15Cl2NO3S MW 420.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2NO3S/c1-2-26-20(25)17-18(24)16(11-12-8-9-14(21)15(22)10-12)27-19(17)23-13-6-4-3-5-7-13/h3-11,23H,2H2,1H3/b16-11+
InChIKey
MYBGJFMYSGCOOH-LFIBNONCSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)Cl)Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)Cl)Cl)C1=O)NC3=CC=CC=C3
ETHYL(5E)2ANILINO5((34DICHLOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(34DICHLOROBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC20H15Cl2NO3Sc122620(25)1718(24)16(11128914(21)15(22)1012)2719(17)23136435713h31123H2H21H3b1611+
MFCD08050007
STK024816
ZINC000002869978
ZINC02869978
ZINC2869978

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Available files

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