Vitas-M small molecule compound
1-[4-(propan-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL080953
SMILES CC(c1ccc(cc1)n1nnc(c1n1cccc1)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 C16H16N4O2 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2/c1-11(2)12-5-7-13(8-6-12)20-15(19-9-3-4-10-19)14(16(21)22)17-18-20/h3-11H,1-2H3,(H,21,22)InChIKey
AWBPAYFMOQMEKJ-UHFFFAOYSA-NSynonyms
1255782-73-01(4(propan2yl)phenyl)5(1Hpyrrol1yl)1H123triazole4carboxylicacid
1(4ISOPROPYLPHENYL)5(1HPYRROL1YL)1H123TRIAZOLE4CARBOXYLICACID
1(4propan2ylphenyl)5pyrrol1yltriazole4carboxylicacid
1255782730
CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)N3C=CC=C3
InChI=1SC16H16N4O2c111(2)125713(8612)2015(199341019)14(16(21)22)171820h311H12H3(H2122)
MFCD17780160
ZINC000057352051
ZINC57352051
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