Vitas-M small molecule compound

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

Catalog ID
STK137587
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)C)c1cccc(c1)OC

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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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-14-7-5-8-16(11-14)12-19-20(22(25)27-4)15(2)23(21(19)24)17-9-6-10-18(13-17)26-3/h5-13H,1-4H3/b19-12-
InChIKey
UENNBTTYRUHLJL-UNOMPAQXSA-N
Synonyms

CC1=CC=CC(=C1)C=C2C(=C(N(C2=O)C3=CC(=CC=C3)OC)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)C)c1cccc(c1)OC
InChI=1SC22H21NO4c11475816(1114)121920(22(25)274)15(2)23(21(19)24)17961018(1317)263h513H14H3b1912
METHYL(4Z)1(3METHOXYPHENYL)2METHYL4((3METHYLPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3METHOXYPHENYL)2METHYL4(3METHYLBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD04332685
ZINC000013879880
ZINC13879880

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Available files

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