Vitas-M small molecule compound
3-(3-{carboxy[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}-5-methoxy-1H-indol-1-yl)propanoic acid
Catalog ID
STK928799
SMILES COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCCN(CC1)c1ncccn1)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 C23H27N5O5 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5/c1-33-16-4-5-19-17(14-16)18(15-28(19)11-6-20(29)30)21(22(31)32)26-9-3-10-27(13-12-26)23-24-7-2-8-25-23/h2,4-5,7-8,14-15,21H,3,6,9-13H2,1H3,(H,29,30)(H,31,32)InChIKey
MNAYVMLQPXIHLS-UHFFFAOYSA-NSynonyms
1214146-10-71214146107
3(3(carboxy(4(pyrimidin2yl)14diazepan1yl)methyl)5methoxy1Hindol1yl)propanoicacid
3(3(carboxy(4pyrimidin2yl14diazepan1yl)methyl)5methoxyindol1yl)propanoicacid
COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4)CCC(=O)O
InChI=1SC23H27N5O5c13316451917(1416)18(1528(19)11620(29)30)21(22(31)32)26931027(131226)23247282523h24578141521H36913H21H3(H2930)(H3132)
MFCD13757780
ZINC000036358242
ZINC000036358243
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