Vitas-M small molecule compound

ethyl (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-{[(2-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL374994
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(o2)C)/C1=O)NC(=O)c1ccccc1C

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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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-4-26-21(25)17-18(23)16(11-14-10-9-13(3)27-14)28-20(17)22-19(24)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3,(H,22,24)/b16-11-
InChIKey
SYDVGACMZFZQCU-WJDWOHSUSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C)C1=O)NC(=O)C3=CC=CC=C3C
CCOC(=O)C1=C(SC(=Cc2ccc(o2)C)C1=O)NC(=O)c1ccccc1C
ETHYL(5Z)2((2METHYLBENZOYL)AMINO)5((5METHYLFURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5methylfuran2yl)methylidene)2(((2methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL2((2METHYLBENZOYL)AMINO)5((5METHYL2FURYL)METHYLENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC21H19NO5Sc142621(25)1718(23)16(111410913(3)2714)2820(17)2219(24)15865712(15)2h511H4H213H3(H2224)b1611
MFCD03838083
ZINC000004472253
ZINC04472253
ZINC4472253

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Available files

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