Vitas-M small molecule compound
methyl 3-{[(5-bromo-2-methoxyphenyl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
Catalog ID
STL089124
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cc(Br)ccc1OC)N1CCN(CC1)C
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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 C21H24BrN3O4 MW 462.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O4/c1-24-8-10-25(11-9-24)18-6-4-14(21(27)29-3)12-17(18)23-20(26)16-13-15(22)5-7-19(16)28-2/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)InChIKey
BATGHUAWZIPWFC-UHFFFAOYSA-NSynonyms
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)Br)OC
InChI=1SC21H24BrN3O4c12481025(11924)186414(21(27)293)1217(18)2320(26)161315(22)5719(16)282h471213H811H213H3(H2326)
methyl3(((5bromo2methoxyphenyl)carbonyl)amino)4(4methylpiperazin1yl)benzoate
METHYL3((5BROMO2METHOXYBENZOYL)AMINO)4(4METHYLPIPERAZIN1YL)BENZOATE
MFCD06633396
ZINC000016189156
ZINC16189156
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