Vitas-M small molecule compound
N-{[5-({1-[(3,5-dimethylphenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK278734
SMILES CCC(C(=O)Nc1cc(C)cc(c1)C)Sc1nnc(n1C)CNC(=O)c1ccccc1F
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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)26-16-11-14(2)10-15(3)12-16)32-23-28-27-20(29(23)4)13-25-21(30)17-8-6-7-9-18(17)24/h6-12,19H,5,13H2,1-4H3,(H,25,30)(H,26,31)InChIKey
RPYVDPPRJDEQMY-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC(=CC(=C1)C)C)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3F
InChI=1SC23H26FN5O2Sc1519(22(31)26161114(2)1015(3)1216)3223282720(29(23)4)132521(30)17867918(17)24h61219H513H214H3(H2530)(H2631)
MFCD09269508
N((5((1((35dimethylphenyl)amino)1oxobutan2yl)sulfanyl)4methyl4H124triazol3yl)methyl)2fluorobenzamide
N((5(1(35dimethylanilino)1oxobutan2yl)sulfanyl4methyl124triazol3yl)methyl)2fluorobenzamide
ZINC000009095862
ZINC000009095863
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