Vitas-M small molecule compound
2-[(4-ethyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
Catalog ID
STK297295
SMILES CCC(C(=O)Nc1ccccc1F)Sc1nnc(n1CC)CC(=O)Nc1ccccc1C
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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/c1-4-19(22(31)26-18-13-9-7-11-16(18)24)32-23-28-27-20(29(23)5-2)14-21(30)25-17-12-8-6-10-15(17)3/h6-13,19H,4-5,14H2,1-3H3,(H,25,30)(H,26,31)InChIKey
LQEKOMXYSNGFMS-UHFFFAOYSA-NSynonyms
2((4ethyl5(2((2methylphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)N(2fluorophenyl)butanamide
2((4ethyl5(2(2methylanilino)2oxoethyl)124triazol3yl)sulfanyl)N(2fluorophenyl)butanamide
2(4ETHYL5(OTOLYLCARBAMOYLMETHYL)4H(124)TRIAZOL3YLSULFANYL)N(2FLUOROPHENYL)BUTYRAMIDE
CCC(C(=O)NC1=CC=CC=C1F)SC2=NN=C(N2CC)CC(=O)NC3=CC=CC=C3C
InChI=1SC23H26FN5O2Sc1419(22(31)261813971116(18)24)3223282720(29(23)52)1421(30)251712861015(17)3h61319H4514H213H3(H2530)(H2631)
MFCD09960884
ZINC000013956161
ZINC000013956164
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