Vitas-M small molecule compound
methyl 4-{2-hydroxy-3-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propoxy}benzoate
Catalog ID
STL162201
SMILES COC(=O)c1ccc(cc1)OCC(CN1CCCN(CC1)c1ncccn1)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 C20H26N4O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4/c1-27-19(26)16-4-6-18(7-5-16)28-15-17(25)14-23-10-3-11-24(13-12-23)20-21-8-2-9-22-20/h2,4-9,17,25H,3,10-15H2,1H3InChIKey
PTCBYAFFSYTCMZ-UHFFFAOYSA-NSynonyms
1282142-51-11282142511
COC(=O)C1=CC=C(C=C1)OCC(CN2CCCN(CC2)C3=NC=CC=N3)O
InChI=1SC20H26N4O4c12719(26)164618(7516)281517(25)14231031124(131223)20218292220h2491725H31015H21H3
methyl4(2hydroxy3(4(pyrimidin2yl)14diazepan1yl)propoxy)benzoate
methyl4(2hydroxy3(4pyrimidin2yl14diazepan1yl)propoxy)benzoate
MFCD18800178
ZINC000061721935
ZINC000061721936
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