Vitas-M small molecule compound
ethyl (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158375
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(c(c2)OC)O)/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(26)19-20(25)18(12-14-7-10-16(24)17(11-14)27-3)29-21(19)23-15-8-5-13(2)6-9-15/h5-12,23-24H,4H2,1-3H3/b18-12-InChIKey
MOGPFFQDIKEEOD-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccc(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)OC)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4HYDROXY3METHOXYBENZYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO5Sc142822(26)1920(25)18(121471016(24)17(1114)273)2921(19)23158513(2)6915h5122324H4H213H3b1812
MFCD02803384
ZINC000004688343
ZINC04688343
ZINC4688343
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