Vitas-M small molecule compound
N-cyclohexyl-2-{[4-ethyl-5-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK297746
SMILES CCn1c(nnc1SC(C(=O)NC1CCCCC1)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 C22H28F3N5O2S MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28F3N5O2S/c1-3-30-18(13-19(31)26-17-11-7-8-15(12-17)22(23,24)25)28-29-21(30)33-14(2)20(32)27-16-9-5-4-6-10-16/h7-8,11-12,14,16H,3-6,9-10,13H2,1-2H3,(H,26,31)(H,27,32)InChIKey
VDWXFZCMLKJNAD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC22H28F3N5O2Sc133018(1319(31)2617117815(1217)22(2324)25)282921(30)3314(2)20(32)271695461016h7811121416H3691013H212H3(H2631)(H2732)
MFCD09961140
Ncyclohexyl2((4ethyl5(2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)4H124triazol3yl)sulfanyl)propanamide
Ncyclohexyl2((4ethyl5(2oxo2(3(trifluoromethyl)anilino)ethyl)124triazol3yl)sulfanyl)propanamide
NCYCLOHEXYL2(4ETHYL5((3TRIFLUOROMETHYLPHENYLCARBAMOYL)METHYL)4H(124)TRIAZOL3YLSULFANYL)PROPIONAMIDE
ZINC000013956638
ZINC000013956641
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