Vitas-M small molecule compound
methyl 4-[(3-cyclohexylpropanoyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK792179
SMILES COC(=O)C1=C(C)N(C(=O)C1(NC(=O)CCC1CCCCC1)C(F)(F)F)C1CCCC1
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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 C22H31F3N2O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31F3N2O4/c1-14-18(19(29)31-2)21(22(23,24)25,20(30)27(14)16-10-6-7-11-16)26-17(28)13-12-15-8-4-3-5-9-15/h15-16H,3-13H2,1-2H3,(H,26,28)InChIKey
SMEQCCPAGPVKSA-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)CCC3CCCCC3)C(=O)OC
InChI=1SC22H31F3N2O4c11418(19(29)312)21(22(2324)2520(30)27(14)1610671116)2617(28)1312158435915h1516H313H212H3(H2628)
methyl4((3cyclohexylpropanoyl)amino)1cyclopentyl2methyl5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
methyl4(3cyclohexylpropanoylamino)1cyclopentyl2methyl5oxo4(trifluoromethyl)pyrrole3carboxylate
MFCD08098262
ZINC000012402655
ZINC000012402656
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