Vitas-M small molecule compound

ethyl (5Z)-5-[(5-bromofuran-2-yl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL371524
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(o2)Br)/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 C18H14BrNO4S MW 420.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrNO4S/c1-2-23-18(22)15-16(21)13(10-12-8-9-14(19)24-12)25-17(15)20-11-6-4-3-5-7-11/h3-10,20H,2H2,1H3/b13-10-
InChIKey
OOYNROKEQYCBPL-RAXLEYEMSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(o2)Br)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)Br)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((5BROMOFURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5bromofuran2yl)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC18H14BrNO4Sc122318(22)1516(21)13(10128914(19)2412)2517(15)20116435711h31020H2H21H3b1310
MFCD03711532
ZINC000009295953
ZINC09295953
ZINC9295953

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.