Vitas-M small molecule compound

2-[(4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile

Catalog ID
STK362694
SMILES N#Cc1ccccc1COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=O)N(C1=O)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 C26H22N4O4 MW 454.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4/c1-16-12-20(13-23-24(31)28-26(33)29(3)25(23)32)17(2)30(16)21-8-10-22(11-9-21)34-15-19-7-5-4-6-18(19)14-27/h4-13H,15H2,1-3H3,(H,28,31,33)/b23-13+
InChIKey
MHCLHIWPNZKBTL-YDZHTSKRSA-N
Synonyms

2((4(25DIMETHYL3((E)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)PHENOXY)METHYL)BENZONITRILE
2((4(25DIMETHYL3((E)(1METHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C)C=C4C(=O)NC(=O)N(C4=O)C
InChI=1SC26H22N4O4c1161220(132324(31)2826(33)29(3)25(23)32)17(2)30(16)2181022(11921)341519754618(19)1427h413H15H213H3(H283133)b2313+
MFCD03036856
N#Cc1ccccc1COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C
ZINC000002730313
ZINC02730313
ZINC2730313

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Available files

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