Vitas-M small molecule compound
1-(3-chloro-4-methylphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL130115
SMILES CCc1c(nnn1c1ccc(c(c1)Cl)C)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 C12H12ClN3O2 MW 265.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3O2/c1-3-10-11(12(17)18)14-15-16(10)8-5-4-7(2)9(13)6-8/h4-6H,3H2,1-2H3,(H,17,18)InChIKey
GHACHGSVEHNRST-UHFFFAOYSA-NSynonyms
1094246-06-61(3chloro4methylphenyl)5ethyl1H123triazole4carboxylicacid
1(3chloro4methylphenyl)5ethyltriazole4carboxylicacid
1094246066
CCC1=C(N=NN1C2=CC(=C(C=C2)C)Cl)C(=O)O
InChI=1SC12H12ClN3O2c131011(12(17)18)141516(10)8547(2)9(13)68h46H3H212H3(H1718)
MFCD11540087
ZINC000036895343
ZINC36895343
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