Vitas-M small molecule compound

4-[(E)-(2-{[(3,5-dihydroxy-1,2,4-triazin-6-yl)amino]acetyl}hydrazinylidene)methyl]benzoic acid (non-preferred name)

Catalog ID
STK635072
SMILES O=C(CNc1nnc(nc1O)O)N/N=C/c1ccc(cc1)C(=O)O

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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 C13H12N6O5 MW 332.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N6O5/c20-9(6-14-10-11(21)16-13(24)19-18-10)17-15-5-7-1-3-8(4-2-7)12(22)23/h1-5H,6H2,(H,14,18)(H,17,20)(H,22,23)(H2,16,19,21,24)/b15-5+
InChIKey
BQXYGFYDLXYMHU-PJQLUOCWSA-N
Synonyms
307508-59-4
307508594
4((1E)2(2((35DIOXO(2H4H124TRIAZIN6YL))AMINO)ACETYLAMINO)2AZAVINYL)BENZOICACID
4((E)((2((35DIOXO2H124TRIAZIN6YL)AMINO)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((35dihydroxy124triazin6yl)amino)acetyl)hydrazinylidene)methyl)benzoicacid(nonpreferredname)
C1=CC(=CC=C1C=NNC(=O)CNC2=NNC(=O)NC2=O)C(=O)O
InChI=1SC13H12N6O5c209(6141011(21)1613(24)191810)171557138(427)12(22)23h15H6H2(H1418)(H1720)(H2223)(H216192124)b155+
MFCD18160601
O=C(CNc1nnc(nc1O)O)NN=Cc1ccc(cc1)C(=O)O
ZINC000001748400
ZINC33342940

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Available files

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