Vitas-M small molecule compound
ethyl (5Z)-5-(5-bromo-2-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK005442
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Br)ccc2OC)/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 C21H18BrNO4S MW 460.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO4S/c1-3-27-21(25)18-19(24)17(12-13-11-14(22)9-10-16(13)26-2)28-20(18)23-15-7-5-4-6-8-15/h4-12,23H,3H2,1-2H3/b17-12-InChIKey
YSIBJHIUSGZNRW-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)ccc2OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)Br)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((5BROMO2METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(5BROMO2METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL2ANILINO5(5BROMO2METHOXYBENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC21H18BrNO4Sc132721(25)1819(24)17(12131114(22)91016(13)262)2820(18)23157546815h41223H3H212H3b1712
MFCD03269857
STK005442
ZINC000008395914
ZINC08395914
ZINC8395914
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