Vitas-M small molecule compound
2-[(5-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
Catalog ID
STK278748
SMILES CCC(C(=O)Nc1ccccc1F)Sc1nnc(n1C)CC(=O)Nc1ccc(c(c1)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 C23H26FN5O2S MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN5O2S/c1-5-19(22(31)26-18-9-7-6-8-17(18)24)32-23-28-27-20(29(23)4)13-21(30)25-16-11-10-14(2)15(3)12-16/h6-12,19H,5,13H2,1-4H3,(H,25,30)(H,26,31)InChIKey
CMOGYUQNWJRKRJ-UHFFFAOYSA-NSynonyms
2((5(2((34dimethylphenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)N(2fluorophenyl)butanamide
2((5(2(34dimethylanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)N(2fluorophenyl)butanamide
2(5((34DIMETHYLPHENYLCARBAMOYL)METHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)N(2FLUOROPHENYL)BUTYRAMIDE
CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2C)CC(=O)NC3=CC(=C(C=C3)C)C
InChI=1SC23H26FN5O2Sc1519(22(31)2618976817(18)24)3223282720(29(23)4)1321(30)2516111014(2)15(3)1216h61219H513H214H3(H2530)(H2631)
MFCD09269522
ZINC000009095894
ZINC000009095895
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