Vitas-M small molecule compound

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

Catalog ID
STK160456
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1cccc(c1)OCc1ccccc1

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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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-14-19(21(24)25-2)18(20(23)22-14)12-16-9-6-10-17(11-16)26-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,22,23)/b18-12-
InChIKey
BDTSQRPQDJLAFX-PDGQHHTCSA-N
Synonyms

CC1=C(C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)N1)C(=O)OC
COC(=O)C1=C(C)NC(=O)C1=Cc1cccc(c1)OCc1ccccc1
InChI=1SC21H19NO4c11419(21(24)252)18(20(23)2214)1216961017(1116)2613157435815h312H13H212H3(H2223)b1812
METHYL(4Z)2METHYL5OXO4((3PHENYLMETHOXYPHENYL)METHYLIDENE)1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(3(BENZYLOXY)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03272225
ZINC000000312502
ZINC00312502
ZINC312502

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Available files

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