Vitas-M small molecule compound

ethyl {(4-chlorophenyl)[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]amino}(oxo)acetate

Catalog ID
STL252087
SMILES CCOC(=O)C(=O)N(c1ccc(cc1)Cl)Cc1n[nH]c(=O)[nH]1

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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 C13H13ClN4O4 MW 324.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN4O4/c1-2-22-12(20)11(19)18(7-10-15-13(21)17-16-10)9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,21)
InChIKey
JHKKWCMQSSHUEJ-UHFFFAOYSA-N
Synonyms
1374531-41-5
1374531415
CCOC(=O)C(=O)N(c1ccc(cc1)Cl)Cc1n(nH)c(=O)(nH)1
CCOC(=O)C(=O)N(CC1=NC(=O)NN1)C2=CC=C(C=C2)Cl
ethyl((4chlorophenyl)((5oxo45dihydro1H124triazol3yl)methyl)amino)(oxo)acetate
ethyl2((4chlorophenyl)((5oxo45dihydro1H124triazol3yl)methyl)amino)2oxoacetate
ethyl2(4chloroN((5oxo12dihydro124triazol3yl)methyl)anilino)2oxoacetate
InChI=1SC13H13ClN4O4c122212(20)11(19)18(7101513(21)171610)9538(14)469h36H27H21H3(H215161721)
MFCD22204523
ZINC000072406280
ZINC72406280

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.