Vitas-M small molecule compound

methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK804839
SMILES COCCN1C(=C(/C(=C/c2ccc(cc2)C(=O)OC)/C1=O)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 C19H21NO6 MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO6/c1-12-16(19(23)26-4)15(17(21)20(12)9-10-24-2)11-13-5-7-14(8-6-13)18(22)25-3/h5-8,11H,9-10H2,1-4H3/b15-11-
InChIKey
RFZNOYMRKVRYNN-PTNGSMBKSA-N
Synonyms

(Z)methyl4(4(methoxycarbonyl)benzylidene)1(2methoxyethyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1CCOC)C(=O)OC
COCCN1C(=C(C(=Cc2ccc(cc2)C(=O)OC)C1=O)C(=O)OC)C
InChI=1SC19H21NO6c11216(19(23)264)15(17(21)20(12)910242)11135714(8613)18(22)253h5811H910H214H3b1511
METHYL(4Z)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)4(4(methoxycarbonyl)benzylidene)1(2methoxyethyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL4((4(METHOXYCARBONYL)1(2METHOXYETHYL)5METHYL2OXOAZOLIN3YLIDENE)METHYL)BENZOATE
MFCD01455638
ZINC000002303946
ZINC02303946
ZINC2303946

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Available files

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