Vitas-M small molecule compound

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

Catalog ID
STK159957
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1OC)OC)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 C20H25NO5 MW 359.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5/c1-12(2)11-21-13(3)17(20(23)26-6)15(19(21)22)10-14-8-7-9-16(24-4)18(14)25-5/h7-10,12H,11H2,1-6H3/b15-10-
InChIKey
WCQOCFIOUUOABI-GDNBJRDFSA-N
Synonyms

CC1=C(C(=CC2=C(C(=CC=C2)OC)OC)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1OC)OC)CC(C)C
InChI=1SC20H25NO5c112(2)112113(3)17(20(23)266)15(19(21)22)101487916(244)18(14)255h71012H11H216H3b1510
METHYL(4Z)4((23DIMETHOXYPHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(23DIMETHOXYBENZYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01611737
ZINC000001082195
ZINC01082195
ZINC1082195

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Available files

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