Vitas-M small molecule compound
ethyl (5Z)-5-(3-bromo-4-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371518
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Br)OC)/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(12-13-9-10-16(26-2)15(22)11-13)28-20(18)23-14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/b17-12-InChIKey
USUHBKCRNOZQDH-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)Br)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)OC)Br)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3BROMO4METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3bromo4methoxybenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
ETHYL2ANILINO5(3BROMO4METHOXYBENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC21H18BrNO4Sc132721(25)1819(24)17(121391016(262)15(22)1113)2820(18)23147546814h41223H3H212H3b1712
MFCD03269851
ZINC000008395912
ZINC08395912
ZINC8395912
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