Vitas-M small molecule compound

methyl 3-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)amino]benzoate

Catalog ID
STL036612
SMILES COC(=O)c1cccc(c1)Nc1nnc(c(n1)O)C

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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 C12H12N4O3 MW 260.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O3/c1-7-10(17)14-12(16-15-7)13-9-5-3-4-8(6-9)11(18)19-2/h3-6H,1-2H3,(H2,13,14,16,17)
InChIKey
GWFDVAXPJROHMM-UHFFFAOYSA-N
Synonyms
692760-26-2
692760262
CC1=NNC(=NC1=O)NC2=CC=CC(=C2)C(=O)OC
InChI=1SC12H12N4O3c1710(17)1412(16157)1395348(69)11(18)192h36H12H3(H213141617)
methyl3((5hydroxy6methyl124triazin3yl)amino)benzoate
METHYL3((6METHYL5OXO2H124TRIAZIN3YL)AMINO)BENZOATE
METHYL3((6METHYL5OXO4H124TRIAZIN3YL)AMINO)BENZOATE
MFCD08730022
ZINC000008997390
ZINC08997390
ZINC8997390

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Available files

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