Vitas-M small molecule compound
ethyl (5E)-5-(3-bromobenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158408
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C/c2cccc(c2)Br)/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(12-13-5-4-6-14(22)11-13)28-20(18)23-15-7-9-16(26-2)10-8-15/h4-12,23H,3H2,1-2H3/b17-12+InChIKey
YXJQVWNAYDRRFG-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cccc(c2)Br)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)Br)C1=O)NC3=CC=C(C=C3)OC
ETHYL(5E)5((3BROMOPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(3BROMOBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18BrNO4Sc132721(25)1819(24)17(121354614(22)1113)2820(18)23157916(262)10815h41223H3H212H3b1712+
MFCD08679380
ZINC000002969672
ZINC02969672
ZINC2969672
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