Vitas-M small molecule compound

methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK839283
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)CCc1ccc(c(c1)OC)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 C25H25NO7 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO7/c1-15-23(25(28)31-4)18(11-17-6-8-20-22(13-17)33-14-32-20)24(27)26(15)10-9-16-5-7-19(29-2)21(12-16)30-3/h5-8,11-13H,9-10,14H2,1-4H3/b18-11-
InChIKey
FCEOQSVQGRDOJX-WQRHYEAKSA-N
Synonyms
359727-54-1
(Z)methyl4(benzo(d)(13)dioxol5ylmethylene)1(34dimethoxyphenethyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
359727541
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)CCc1ccc(c(c1)OC)OC
InChI=1SC25H25NO7c11523(25(28)314)18(1117682022(1317)33143220)24(27)26(15)109165719(292)21(1216)303h581113H91014H214H3b1811
methyl(4Z)4(13benzodioxol5ylmethylidene)1(2(34dimethoxyphenyl)ethyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)1(2(34DIMETHOXYPHENYL)ETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL3((Z)13BENZODIOXOL5YLMETHYLIDENE)1(34DIMETHOXYPHENETHYL)5METHYL2OXO12DIHYDRO3HPYRROLE4CARBOXYLATE
MFCD02216792
ZINC000000897898
ZINC00897898
ZINC897898

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Available files

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