Vitas-M small molecule compound

methyl 1-cyclohexyl-4-[(cyclohexylcarbonyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK792165
SMILES COC(=O)C1=C(C)N(C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F)C1CCCCC1

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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 C21H29F3N2O4 MW 430.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29F3N2O4/c1-13-16(18(28)30-2)20(21(22,23)24,25-17(27)14-9-5-3-6-10-14)19(29)26(13)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3,(H,25,27)
InChIKey
KHAGNADXVFEGOW-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)OC
InChI=1SC21H29F3N2O4c11316(18(28)302)20(21(2223)242517(27)1495361014)19(29)26(13)15117481215h1415H312H212H3(H2527)
methyl1cyclohexyl4((cyclohexylcarbonyl)amino)2methyl5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
METHYL1CYCLOHEXYL4(CYCLOHEXYLCARBONYLAMINO)2METHYL5OXO4(TRIFLUOROMETHYL)2PYRROLINE3CARBOXYLATE
methyl4(cyclohexanecarbonylamino)1cyclohexyl2methyl5oxo4(trifluoromethyl)pyrrole3carboxylate
MFCD08098236
ZINC000012402667
ZINC000012402668

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Available files

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