Vitas-M small molecule compound
ethyl 5-[2-(4-bromophenyl)-2-oxoethoxy]-1-{[(Z)-(4-chlorophenyl)methylidene]amino}-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STL446048
SMILES CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Br)/N=C\c1ccc(cc1)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 C20H16BrClN4O4 MW 491.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN4O4/c1-2-29-20(28)18-19(30-12-17(27)14-5-7-15(21)8-6-14)26(25-24-18)23-11-13-3-9-16(22)10-4-13/h3-11H,2,12H2,1H3/b23-11-InChIKey
ZEOCFDXDMCHSJT-KSEXSDGBSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)N=CC2=CC=C(C=C2)Cl)OCC(=O)C3=CC=C(C=C3)Br
CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Br)N=Cc1ccc(cc1)Cl
ethyl5(2(4bromophenyl)2oxoethoxy)1(((Z)(4chlorophenyl)methylidene)amino)1H123triazole4carboxylate
ETHYL5(2(4BROMOPHENYL)2OXOETHOXY)1((Z)(4CHLOROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXYLATE
InChI=1SC20H16BrClN4O4c122920(28)1819(301217(27)145715(21)8614)26(252418)2311133916(22)10413h311H212H21H3b2311
MFCD06242781
ZINC000033337959
ZINC1417724
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