Vitas-M small molecule compound

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

Catalog ID
STK792264
SMILES CCCCN1C(=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 C17H25F3N2O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25F3N2O4/c1-6-7-8-22-11(4)13(14(24)26-5)16(15(22)25,17(18,19)20)21-12(23)9-10(2)3/h10H,6-9H2,1-5H3,(H,21,23)
InChIKey
DULBTAXYEZYNKC-UHFFFAOYSA-N
Synonyms

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)CC(C)C)C(=O)OC)C
InChI=1SC17H25F3N2O4c16782211(4)13(14(24)265)16(15(22)2517(1819)20)2112(23)910(2)3h10H69H215H3(H2123)
methyl1butyl2methyl4((3methylbutanoyl)amino)5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
methyl1butyl2methyl4(3methylbutanoylamino)5oxo4(trifluoromethyl)pyrrole3carboxylate
MFCD08098330
ZINC000012419956
ZINC000012419958

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Available files

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