Vitas-M small molecule compound
1-(4-chloro-2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL143172
SMILES COc1cc(Cl)c(cc1n1nnc(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 C12H12ClN3O3 MW 281.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3O3/c1-6-4-9(10(19-3)5-8(6)13)16-7(2)11(12(17)18)14-15-16/h4-5H,1-3H3,(H,17,18)InChIKey
JKOOLEPNCMTAIV-UHFFFAOYSA-NSynonyms
1329918-07-11(4chloro2methoxy5methylphenyl)5methyl1H123triazole4carboxylicacid
1(4chloro2methoxy5methylphenyl)5methyltriazole4carboxylicacid
1329918071
CC1=CC(=C(C=C1Cl)OC)N2C(=C(N=N2)C(=O)O)C
InChI=1SC12H12ClN3O3c1649(10(193)58(6)13)167(2)11(12(17)18)141516h45H13H3(H1718)
MFCD20748296
ZINC000062265732
ZINC62265732
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