Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STK592894
SMILES COc1cc(ccc1OC)c1c(nnn1c1nonc1N)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/c1-22-7-4-3-6(5-8(7)23-2)10-9(13(20)21)15-18-19(10)12-11(14)16-24-17-12/h3-5H,1-2H3,(H2,14,16)(H,20,21)InChIKey
GLVDUFHUICKNKO-UHFFFAOYSA-NSynonyms
879575-78-71(4amino125oxadiazol3yl)5(34dimethoxyphenyl)1H123triazole4carboxylicacid
1(4amino125oxadiazol3yl)5(34dimethoxyphenyl)triazole4carboxylicacid
879575787
COC1=C(C=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O)OC
InChI=1SC13H12N6O5c1227436(58(7)232)109(13(20)21)151819(10)1211(14)16241712h35H12H3(H21416)(H2021)
MFCD07640653
ZINC000009058607
ZINC9058607
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