Vitas-M small molecule compound
5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL120480
SMILES CC(c1ccc(cc1)n1nnc(c1C)C(=O)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 C13H15N3O2 MW 245.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2/c1-8(2)10-4-6-11(7-5-10)16-9(3)12(13(17)18)14-15-16/h4-8H,1-3H3,(H,17,18)InChIKey
UFTHTIGPOVRWEL-UHFFFAOYSA-NSynonyms
5methyl1(4(propan2yl)phenyl)1H123triazole4carboxylicacid
5methyl1(4propan2ylphenyl)triazole4carboxylicacid
CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)O
InChI=1SC13H15N3O2c18(2)104611(7510)169(3)12(13(17)18)141516h48H13H3(H1718)
MFCD10003270
ZINC000011888066
ZINC11888066
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