Vitas-M small molecule compound
ethyl (5E)-5-(4-ethylbenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK056422
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C/c2ccc(cc2)CC)/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 C23H23NO3S MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO3S/c1-4-16-8-10-17(11-9-16)14-19-21(25)20(23(26)27-5-2)22(28-19)24-18-12-6-15(3)7-13-18/h6-14,24H,4-5H2,1-3H3/b19-14+InChIKey
XPCKYNZBOCTIDL-XMHGGMMESA-NSynonyms
CCC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)C)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(cc2)CC)C1=O
ETHYL(5E)5((4ETHYLPHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(4ETHYLBENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC23H23NO3Sc141681017(11916)141921(25)20(23(26)2752)22(2819)241812615(3)71318h61424H45H213H3b1914+
MFCD08051342
STK056422
ZINC000002814128
ZINC02814128
ZINC2814128
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