Vitas-M small molecule compound

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

Catalog ID
STK396985
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1OC)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 C21H27NO5 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5/c1-7-27-21(24)19-14(4)22(12-13(2)3)20(23)17(19)10-15-8-9-16(25-5)11-18(15)26-6/h8-11,13H,7,12H2,1-6H3/b17-10-
InChIKey
YHLXKFYCVNQASS-YVLHZVERSA-N
Synonyms

CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1OC)OC)CC(C)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=C(C=C(C=C2)OC)OC)CC(C)C)C
ETHYL(4Z)4((24DIMETHOXYPHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
ethyl(4Z)4(24dimethoxybenzylidene)2methyl1(2methylpropyl)5oxo45dihydro1Hpyrrole3carboxylate
ETHYL3((24DIMETHOXYPHENYL)METHYLENE)5METHYL1(2METHYLPROPYL)2OXOAZOLINE4CARBOXYLATE
InChI=1SC21H27NO5c172721(24)1914(4)22(1213(2)3)20(23)17(19)10158916(255)1118(15)266h81113H712H216H3b1710
MFCD01829269
ZINC000016184512
ZINC16184512

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Available files

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