Vitas-M small molecule compound
N-cyclopentyl-2-{[4-ethyl-5-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK497845
SMILES CCn1c(nnc1SC(C(=O)NC1CCCC1)C)CC(=O)Nc1cccc(c1)C(F)(F)F
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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 C21H26F3N5O2S MW 469.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26F3N5O2S/c1-3-29-17(12-18(30)25-16-10-6-7-14(11-16)21(22,23)24)27-28-20(29)32-13(2)19(31)26-15-8-4-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,25,30)(H,26,31)InChIKey
KVGLKZDPEZJJSM-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2CCCC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H26F3N5O2Sc132917(1218(30)2516106714(1116)21(2223)24)272820(29)3213(2)19(31)2615845915h6710111315H358912H212H3(H2530)(H2631)
MFCD11855126
Ncyclopentyl2((4ethyl5(2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)4H124triazol3yl)sulfanyl)propanamide
Ncyclopentyl2((4ethyl5(2oxo2(3(trifluoromethyl)anilino)ethyl)124triazol3yl)sulfanyl)propanamide
ZINC000028211534
ZINC000028211538
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