Vitas-M small molecule compound

2-{[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl}-4-[(4-methoxyphenyl)amino]-4-oxobutanoic acid

Catalog ID
STL157245
SMILES COc1ccc(cc1)NC(=O)CC(C(=O)O)CN1CCN(CC1)c1ncccc1C#N

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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 C22H25N5O4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4/c1-31-19-6-4-18(5-7-19)25-20(28)13-17(22(29)30)15-26-9-11-27(12-10-26)21-16(14-23)3-2-8-24-21/h2-8,17H,9-13,15H2,1H3,(H,25,28)(H,29,30)
InChIKey
KBRVFLIAWFIZKS-UHFFFAOYSA-N
Synonyms
1324088-62-1
1324088621
2((4(3cyanopyridin2yl)piperazin1yl)methyl)4((4methoxyphenyl)amino)4oxobutanoicacid
2((4(3cyanopyridin2yl)piperazin1yl)methyl)4(4methoxyanilino)4oxobutanoicacid
COC1=CC=C(C=C1)NC(=O)CC(CN2CCN(CC2)C3=C(C=CC=N3)C#N)C(=O)O
InChI=1SC22H25N5O4c131196418(5719)2520(28)1317(22(29)30)152691127(121026)2116(1423)3282421h2817H91315H21H3(H2528)(H2930)
MFCD19710451
ZINC000071283586
ZINC000071283587

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Available files

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