Vitas-M small molecule compound
ethyl (5Z)-4-oxo-2-(phenylamino)-5-{[(2-phenylethyl)amino]methylidene}-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK073412
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\NCCc2ccccc2)/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 C22H22N2O3S MW 394.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S/c1-2-27-22(26)19-20(25)18(15-23-14-13-16-9-5-3-6-10-16)28-21(19)24-17-11-7-4-8-12-17/h3-12,15,23-24H,2,13-14H2,1H3/b18-15-InChIKey
IXYMADGFSMLOSJ-SDXDJHTJSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=CNCCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CNCCC2=CC=CC=C2)C1=O)NC3=CC=CC=C3
ethyl(5Z)2anilino4oxo5((2phenylethylamino)methylidene)thiophene3carboxylate
ETHYL(5Z)2ANILINO4OXO5((PHENETHYLAMINO)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5Z)4OXO2(PHENYLAMINO)5(((2PHENYLETHYL)AMINO)METHYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H22N2O3Sc122722(26)1920(25)18(152314131695361016)2821(19)2417117481217h312152324H21314H21H3b1815
MFCD02051806
STK073412
ZINC000100209341
ZINC100209341
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