Vitas-M small molecule compound

(2Z)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

Catalog ID
STK186437
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/C(=O)Nc1ccc(cc1)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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-15-10-17(16(2)27(15)20-6-9-22-23(12-20)31-14-30-22)11-18(13-25)24(28)26-19-4-7-21(29-3)8-5-19/h4-12H,14H2,1-3H3,(H,26,28)/b18-11-
InChIKey
AZTHCEKPODRVKS-WQRHYEAKSA-N
Synonyms
1164559-47-0
(2Z)3(1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
(Z)3(1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
(Z)3(1(benzo(d)(13)dioxol5yl)25dimethyl1Hpyrrol3yl)2cyanoN(4methoxyphenyl)acrylamide
(Z)3(1BENZO(13)DIOXOL5YL25DIMETHYL1HPYRROL3YL)2CYANON(4METHOXYPHENYL)ACRYLAMIDE
1164559470
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC24H21N3O4c1151017(16(2)27(15)20692223(1220)31143022)1118(1325)24(28)26194721(293)8519h412H14H213H3(H2628)b1811
MFCD02378979
N#CC(=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)C(=O)Nc1ccc(cc1)OC
ZINC000001091625
ZINC01091625
ZINC1091625

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Available files

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