Vitas-M small molecule compound
4-[(3-hydroxyphenyl)amino]-4-oxo-2-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}butanoic acid
Catalog ID
STL249864
SMILES O=C(CC(C(=O)O)CN1CCCN(CC1)c1ncccn1)Nc1cccc(c1)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 C20H25N5O4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O4/c26-17-5-1-4-16(13-17)23-18(27)12-15(19(28)29)14-24-8-3-9-25(11-10-24)20-21-6-2-7-22-20/h1-2,4-7,13,15,26H,3,8-12,14H2,(H,23,27)(H,28,29)InChIKey
DHHHBSNMKGZVBJ-UHFFFAOYSA-NSynonyms
1324064-88-11324064881
4((3hydroxyphenyl)amino)4oxo2((4(pyrimidin2yl)14diazepan1yl)methyl)butanoicacid
4(3hydroxyanilino)4oxo2((4pyrimidin2yl14diazepan1yl)methyl)butanoicacid
C1CN(CCN(C1)C2=NC=CC=N2)CC(CC(=O)NC3=CC(=CC=C3)O)C(=O)O
InChI=1SC20H25N5O4c261751416(1317)2318(27)1215(19(28)29)142483925(111024)20216272220h1247131526H381214H2(H2327)(H2829)
MFCD19711779
ZINC000071285387
ZINC000071285388
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