Vitas-M small molecule compound
N-cyclohexyl-2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Catalog ID
STL140325
SMILES O=C(Nc1ccccc1F)Cc1nnc(n1C)SCC(=O)N(C1CCCCC1)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 C20H26FN5O2S MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26FN5O2S/c1-25(14-8-4-3-5-9-14)19(28)13-29-20-24-23-17(26(20)2)12-18(27)22-16-11-7-6-10-15(16)21/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,22,27)InChIKey
KQTCWBVAFZSFSY-UHFFFAOYSA-NSynonyms
2(5(2(cyclohexyl(methyl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(2fluorophenyl)acetamide
CN1C(=NN=C1SCC(=O)N(C)C2CCCCC2)CC(=O)NC3=CC=CC=C3F
InChI=1SC20H26FN5O2Sc125(148435914)19(28)132920242317(26(20)2)1218(27)221611761015(16)21h67101114H35891213H212H3(H2227)
MFCD17011622
Ncyclohexyl2((5(2((2fluorophenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)Nmethylacetamide
ZINC000048513728
ZINC48513728
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