Vitas-M small molecule compound

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

Catalog ID
STK792268
SMILES CCCN1C(=C(C(C1=O)(NC(=O)CC(C)C)C(F)(F)F)C(=O)OC)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 C16H23F3N2O4 MW 364.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23F3N2O4/c1-6-7-21-10(4)12(13(23)25-5)15(14(21)24,16(17,18)19)20-11(22)8-9(2)3/h9H,6-8H2,1-5H3,(H,20,22)
InChIKey
XROSSRCCQNPHFD-UHFFFAOYSA-N
Synonyms

CCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)CC(C)C)C(=O)OC)C
InChI=1SC16H23F3N2O4c1672110(4)12(13(23)255)15(14(21)2416(1718)19)2011(22)89(2)3h9H68H215H3(H2022)
methyl2methyl4((3methylbutanoyl)amino)5oxo1propyl4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
methyl2methyl4(3methylbutanoylamino)5oxo1propyl4(trifluoromethyl)pyrrole3carboxylate
MFCD08098335
ZINC000012411059
ZINC000012411060

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.