Vitas-M small molecule compound
methyl 2-{[(2E)-3-(5-bromo-2-{[(4-methoxyphenyl)carbonyl]oxy}phenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STL383491
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1/C=C(/C(=O)Nc1ccccc1C(=O)OC)\C#N)Br
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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 C26H19BrN2O6 MW 535.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O6/c1-33-20-10-7-16(8-11-20)25(31)35-23-12-9-19(27)14-17(23)13-18(15-28)24(30)29-22-6-4-3-5-21(22)26(32)34-2/h3-14H,1-2H3,(H,29,30)/b18-13+InChIKey
VSFPHXNSPXAGTA-QGOAFFKASA-NSynonyms
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)OC
COc1ccc(cc1)C(=O)Oc1ccc(cc1C=C(C(=O)Nc1ccccc1C(=O)OC)C#N)Br
InChI=1SC26H19BrN2O6c1332010716(81120)25(31)352312919(27)1417(23)1318(1528)24(30)2922643521(22)26(32)342h314H12H3(H2930)b1813+
methyl2(((2E)3(5bromo2(((4methoxyphenyl)carbonyl)oxy)phenyl)2cyanoprop2enoyl)amino)benzoate
methyl2(((E)3(5bromo2(4methoxybenzoyl)oxyphenyl)2cyanoprop2enoyl)amino)benzoate
MFCD28950812
ZINC000105984810
ZINC105984810
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