Vitas-M small molecule compound

ethyl (5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK001815
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(c2OC)OC)/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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-4-28-22(25)18-19(24)17(29-21(18)23-15-10-6-5-7-11-15)13-14-9-8-12-16(26-2)20(14)27-3/h5-13,23H,4H2,1-3H3/b17-13-
InChIKey
TWYKTUFLLNLRLR-LGMDPLHJSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((23DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(23DIMETHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO5Sc142822(25)1819(24)17(2921(18)2315106571115)1314981216(262)20(14)273h51323H4H213H3b1713
MFCD08049036
STK001815
ZINC000004548186
ZINC04548186
ZINC4548186

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Available files

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