Vitas-M small molecule compound
1-{2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}-N-(5-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL142828
SMILES Fc1ccc(c(c1)NC(=O)c1nnn(c1C)CC(=O)Nc1cccc(c1C)C)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 C21H22FN5O2 MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O2/c1-12-6-5-7-17(14(12)3)23-19(28)11-27-15(4)20(25-26-27)21(29)24-18-10-16(22)9-8-13(18)2/h5-10H,11H2,1-4H3,(H,23,28)(H,24,29)InChIKey
ZYZJHRWDWXUDLB-UHFFFAOYSA-NSynonyms
1(2((23dimethylphenyl)amino)2oxoethyl)N(5fluoro2methylphenyl)5methyl1H123triazole4carboxamide
1(2(23dimethylanilino)2oxoethyl)N(5fluoro2methylphenyl)5methyltriazole4carboxamide
CC1=C(C(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)F)C)C)C
InChI=1SC21H22FN5O2c11265717(14(12)3)2319(28)112715(4)20(252627)21(29)24181016(22)9813(18)2h510H11H214H3(H2328)(H2429)
MFCD20747541
ZINC000071327169
ZINC71327169
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