Vitas-M small molecule compound
ethyl 1-{[(Z)-(4-chlorophenyl)methylidene]amino}-5-[2-(4-chlorophenyl)-2-oxoethoxy]-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STL446045
SMILES CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Cl)/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 C20H16Cl2N4O4 MW 447.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N4O4/c1-2-29-20(28)18-19(30-12-17(27)14-5-9-16(22)10-6-14)26(25-24-18)23-11-13-3-7-15(21)8-4-13/h3-11H,2,12H2,1H3/b23-11-InChIKey
ZHJIXRDHVVNHRH-KSEXSDGBSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)N=CC2=CC=C(C=C2)Cl)OCC(=O)C3=CC=C(C=C3)Cl
CCOC(=O)c1nnn(c1OCC(=O)c1ccc(cc1)Cl)N=Cc1ccc(cc1)Cl
ethyl1(((Z)(4chlorophenyl)methylidene)amino)5(2(4chlorophenyl)2oxoethoxy)1H123triazole4carboxylate
ETHYL1((Z)(4CHLOROPHENYL)METHYLIDENEAMINO)5(2(4CHLOROPHENYL)2OXOETHOXY)TRIAZOLE4CARBOXYLATE
InChI=1SC20H16Cl2N4O4c122920(28)1819(301217(27)145916(22)10614)26(252418)2311133715(21)8413h311H212H21H3b2311
MFCD06242782
ZINC000033337960
ZINC1417726
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