Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL190743
SMILES COc1ccc(cc1)c1c(nnn1c1ccc2c(c1)OCO2)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 C17H13N3O5 MW 339.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5/c1-23-12-5-2-10(3-6-12)16-15(17(21)22)18-19-20(16)11-4-7-13-14(8-11)25-9-24-13/h2-8H,9H2,1H3,(H,21,22)InChIKey
ASDPYBIYCKEUQV-UHFFFAOYSA-NSynonyms
1338654-08-21(13benzodioxol5yl)5(4methoxyphenyl)1H123triazole4carboxylicacid
1(13benzodioxol5yl)5(4methoxyphenyl)triazole4carboxylicacid
1338654082
COC1=CC=C(C=C1)C2=C(N=NN2C3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC17H13N3O5c123125210(3612)1615(17(21)22)181920(16)11471314(811)2592413h28H9H21H3(H2122)
MFCD22390037
ZINC000065288237
ZINC65288237
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