Vitas-M small molecule compound
ethyl (5Z)-5-(4-methylbenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK081818
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)C)/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(13-15-11-9-14(2)10-12-15)26-20(18)22-16-7-5-4-6-8-16/h4-13,22H,3H2,1-2H3/b17-13-InChIKey
WYCOSGXCFKMOHA-LGMDPLHJSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(cc2)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)C)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((4METHYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4METHYLBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO3Sc132521(24)1819(23)17(131511914(2)101215)2620(18)22167546816h41322H3H212H3b1713
MFCD03033632
STK081818
ZINC000004116385
ZINC04116385
ZINC4116385
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