Vitas-M small molecule compound
diethyl 5,5'-[(1E,3E)-4-(dimethylamino)buta-1,3-diene-1,3-diyl]bis[3-(2,4-dichlorophenyl)-1,2-oxazole-4-carboxylate]
Catalog ID
STL442406
SMILES CCOC(=O)c1c(onc1c1ccc(cc1Cl)Cl)/C=C/C(=C\N(C)C)/c1onc(c1C(=O)OCC)c1ccc(cc1Cl)Cl
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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 C30H25Cl4N3O6 MW 665.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl4N3O6/c1-5-40-29(38)24-23(42-35-26(24)19-10-8-17(31)13-21(19)33)12-7-16(15-37(3)4)28-25(30(39)41-6-2)27(36-43-28)20-11-9-18(32)14-22(20)34/h7-15H,5-6H2,1-4H3/b12-7+,16-15+InChIKey
APYNFEMACLKFTP-FOBPUUMESA-NSynonyms
CCOC(=O)C1=C(ON=C1C2=C(C=C(C=C2)Cl)Cl)C=CC(=CN(C)C)C3=C(C(=NO3)C4=C(C=C(C=C4)Cl)Cl)C(=O)OCC
CCOC(=O)c1c(onc1c1ccc(cc1Cl)Cl)C=CC(=CN(C)C)c1onc(c1C(=O)OCC)c1ccc(cc1Cl)Cl
diethyl55((1E3E)4(dimethylamino)buta13diene13diyl)bis(3(24dichlorophenyl)12oxazole4carboxylate)
ethyl3(24dichlorophenyl)5((1E3E)3(3(24dichlorophenyl)4ethoxycarbonyl12oxazol5yl)4(dimethylamino)buta13dienyl)12oxazole4carboxylate
InChI=1SC30H25Cl4N3O6c154029(38)2423(423526(24)1910817(31)1321(19)33)12716(1537(3)4)2825(30(39)4162)27(364328)2011918(32)1422(20)34h715H56H214H3b127+1615+
MFCD29709926
ZINC000097957335
ZINC97957335
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