Vitas-M small molecule compound
1-{2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}-N-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129844
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cc(C)ccc1C)Nc1ccc(c(c1)Cl)F
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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 C20H19ClFN5O2 MW 415.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClFN5O2/c1-11-4-5-12(2)17(8-11)24-20(29)19-13(3)27(26-25-19)10-18(28)23-14-6-7-16(22)15(21)9-14/h4-9H,10H2,1-3H3,(H,23,28)(H,24,29)InChIKey
DUQBWQUSRNMDFF-UHFFFAOYSA-NSynonyms
1(2((3chloro4fluorophenyl)amino)2oxoethyl)N(25dimethylphenyl)5methyl1H123triazole4carboxamide
1(2(3chloro4fluoroanilino)2oxoethyl)N(25dimethylphenyl)5methyltriazole4carboxamide
CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=C(C=C3)F)Cl)C
InChI=1SC20H19ClFN5O2c1114512(2)17(811)2420(29)1913(3)27(262519)1018(28)23146716(22)15(21)914h49H10H213H3(H2328)(H2429)
MFCD20747990
ZINC000067323103
ZINC67323103
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