Vitas-M small molecule compound
1-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-N-(5-fluoro-2-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL143051
SMILES CCOc1ccc(cc1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cc(F)ccc1C
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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 C21H22FN5O3 MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3/c1-4-30-17-9-7-16(8-10-17)23-19(28)12-27-14(3)20(25-26-27)21(29)24-18-11-15(22)6-5-13(18)2/h5-11H,4,12H2,1-3H3,(H,23,28)(H,24,29)InChIKey
BHLJBWAPYYFJEU-UHFFFAOYSA-NSynonyms
1(2((4ethoxyphenyl)amino)2oxoethyl)N(5fluoro2methylphenyl)5methyl1H123triazole4carboxamide
1(2(4ethoxyanilino)2oxoethyl)N(5fluoro2methylphenyl)5methyltriazole4carboxamide
CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)F)C)C
InChI=1SC21H22FN5O3c1430179716(81017)2319(28)122714(3)20(252627)21(29)24181115(22)6513(18)2h511H412H213H3(H2328)(H2429)
MFCD20747917
ZINC000071327392
ZINC71327392
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