Vitas-M small molecule compound
1-(2,3-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL120481
SMILES OC(=O)c1nnn(c1C)c1cccc(c1C)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 C12H13N3O2 MW 231.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2/c1-7-5-4-6-10(8(7)2)15-9(3)11(12(16)17)13-14-15/h4-6H,1-3H3,(H,16,17)InChIKey
JITFXKBRKYKSTC-UHFFFAOYSA-NSynonyms
1(23dimethylphenyl)5methyl1H123triazole4carboxylicacid
1(23dimethylphenyl)5methyltriazole4carboxylicacid
CC1=C(C(=CC=C1)N2C(=C(N=N2)C(=O)O)C)C
InChI=1SC12H13N3O2c1754610(8(7)2)159(3)11(12(16)17)131415h46H13H3(H1617)
MFCD10003286
ZINC000011888117
ZINC11888117
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