Vitas-M small molecule compound
ethyl (5Z)-5-benzylidene-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK065687
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccccc2)/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 C21H19NO3S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO3S/c1-3-25-21(24)18-19(23)17(13-15-7-5-4-6-8-15)26-20(18)22-16-11-9-14(2)10-12-16/h4-13,22H,3H2,1-2H3/b17-13-InChIKey
UXMMFUKNAJCASB-LGMDPLHJSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)5BENZYLIDENE2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5BENZYLIDENE2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO3Sc132521(24)1819(23)17(13157546815)2620(18)221611914(2)101216h41322H3H212H3b1713
MFCD03033405
STK065687
ZINC000004942635
ZINC04942635
ZINC4942635
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