Vitas-M small molecule compound
ethyl (5Z)-5-(3-bromo-4,5-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371519
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(Br)c(c(c2)OC)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 C22H20BrNO5S MW 490.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5S/c1-4-29-22(26)18-19(25)17(30-21(18)24-14-8-6-5-7-9-14)12-13-10-15(23)20(28-3)16(11-13)27-2/h5-12,24H,4H2,1-3H3/b17-12-InChIKey
UUKDUJJVLMJZID-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Br)c(c(c2)OC)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)Br)OC)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((3BROMO45DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3bromo45dimethoxybenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC22H20BrNO5Sc142922(26)1819(25)17(3021(18)24148657914)12131015(23)20(283)16(1113)272h51224H4H213H3b1712
MFCD03269526
ZINC000009295950
ZINC09295950
ZINC9295950
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