Vitas-M small molecule compound
methyl (5E)-5-(4-ethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158454
SMILES CCOc1ccc(cc1)/C=C\1/SC(=C(C1=O)C(=O)OC)Nc1ccccc1
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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 C21H19NO4S MW 381.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S/c1-3-26-16-11-9-14(10-12-16)13-17-19(23)18(21(24)25-2)20(27-17)22-15-7-5-4-6-8-15/h4-13,22H,3H2,1-2H3/b17-13+InChIKey
KQMHWAKLXGJUTR-GHRIWEEISA-NSynonyms
CCOC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC
CCOc1ccc(cc1)C=C1SC(=C(C1=O)C(=O)OC)Nc1ccccc1
InChI=1SC21H19NO4Sc13261611914(101216)131719(23)18(21(24)252)20(2717)22157546815h41322H3H212H3b1713+
METHYL(5E)2ANILINO5((4ETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(4ETHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679417
ZINC000004688353
ZINC04688353
ZINC4688353
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