Vitas-M small molecule compound
methyl 2-{[(2E)-3-{3-bromo-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK522814
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)Cl)/C(=O)Nc1ccccc1C(=O)OC
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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 C25H18BrClN2O4 MW 525.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrClN2O4/c1-32-25(31)20-4-2-3-5-22(20)29-24(30)18(14-28)12-17-8-11-23(21(26)13-17)33-15-16-6-9-19(27)10-7-16/h2-13H,15H2,1H3,(H,29,30)/b18-12+InChIKey
FXQXDZROSMIGAQ-LDADJPATSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br)C#N
InChI=1SC25H18BrClN2O4c13225(31)20423522(20)2924(30)18(1428)121781123(21(26)1317)3315166919(27)10716h213H15H21H3(H2930)b1812+
methyl2(((2E)3(3bromo4((4chlorobenzyl)oxy)phenyl)2cyanoprop2enoyl)amino)benzoate
METHYL2(((E)3(3BROMO4((4CHLOROPHENYL)METHOXY)PHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
MFCD03155149
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)Cl)C(=O)Nc1ccccc1C(=O)OC
ZINC000003232214
ZINC3232214
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