Vitas-M small molecule compound
3-{carboxy[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK928423
SMILES N#Cc1cccnc1N1CCN(CC1)C(c1cn(c2c1ccc(c2)C(=O)O)C)C(=O)O
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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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-25-13-17(16-5-4-14(21(28)29)11-18(16)25)19(22(30)31)26-7-9-27(10-8-26)20-15(12-23)3-2-6-24-20/h2-6,11,13,19H,7-10H2,1H3,(H,28,29)(H,30,31)InChIKey
PMMJOTNVMOMXBG-UHFFFAOYSA-NSynonyms
1214238-57-91214238579
3(carboxy(4(3cyanopyridin2yl)piperazin1yl)methyl)1methyl1Hindole6carboxylicacid
3(carboxy(4(3cyanopyridin2yl)piperazin1yl)methyl)1methylindole6carboxylicacid
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N
InChI=1SC22H21N5O4c1251317(165414(21(28)29)1118(16)25)19(22(30)31)267927(10826)2015(1223)3262420h26111319H710H21H3(H2829)(H3031)
MFCD13759983
ZINC000036360891
ZINC000036360892
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