Vitas-M small molecule compound

methyl (4Z)-4-(2-fluorobenzylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK024184
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1F)CC(C)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 C18H20FNO3 MW 317.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20FNO3/c1-11(2)10-20-12(3)16(18(22)23-4)14(17(20)21)9-13-7-5-6-8-15(13)19/h5-9,11H,10H2,1-4H3/b14-9-
InChIKey
GZRQFQBDTOVNDA-ZROIWOOFSA-N
Synonyms

CC1=C(C(=CC2=CC=CC=C2F)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1F)CC(C)C
InChI=1SC18H20FNO3c111(2)102012(3)16(18(22)234)14(17(20)21)913756815(13)19h5911H10H214H3b149
METHYL(4Z)4((2FLUOROPHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(2FLUOROBENZYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711846
STK024184
ZINC000000313451
ZINC00313451
ZINC313451

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Available files

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