Vitas-M small molecule compound

3,3-dimethyl-5-{[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amino}-5-oxopentanoic acid

Catalog ID
STK665096
SMILES O=C(CC(CC(=O)O)(C)C)Nc1cccc(c1)c1nncn1C

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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 C16H20N4O3 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3/c1-16(2,9-14(22)23)8-13(21)18-12-6-4-5-11(7-12)15-19-17-10-20(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,22,23)
InChIKey
BUAFHBTXXAKGBN-UHFFFAOYSA-N
Synonyms

33dimethyl5((3(4methyl4H124triazol3yl)phenyl)amino)5oxopentanoicacid
33DIMETHYL5(3(4METHYL124TRIAZOL3YL)ANILINO)5OXOPENTANOICACID
33DIMETHYL5(3(4METHYL4H124TRIAZOL3YL)ANILINO)5OXOPENTANOICACID
CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN=CN2C)CC(=O)O
InChI=1SC16H20N4O3c116(2914(22)23)813(21)181264511(712)1519171020(15)3h4710H89H213H3(H1821)(H2223)
MFCD07800492
ZINC000004788842
ZINC4788842

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Available files

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