Vitas-M small molecule compound
ethyl 4-[(5-bromopyridin-2-yl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK682113
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)Nc1ccc(cn1)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 C21H21BrN2O4 MW 445.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4/c1-3-28-21(26)20-17(13-5-4-6-16(9-13)27-2)10-15(11-18(20)25)24-19-8-7-14(22)12-23-19/h4-9,11-12,17,20H,3,10H2,1-2H3,(H,23,24)InChIKey
XIPYCTKLEHZMCO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC(=CC1=O)NC2=NC=C(C=C2)Br)C3=CC(=CC=C3)OC
ethyl4((5bromopyridin2yl)amino)6(3methoxyphenyl)2oxocyclohex3ene1carboxylate
InChI=1SC21H21BrN2O4c132821(26)2017(1354616(913)272)1015(1118(20)25)24198714(22)122319h4911121720H310H212H3(H2324)
MFCD03821333
ZINC000001079959
ZINC000001079962
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