Vitas-M small molecule compound
{2-methoxy-4-[(E)-{2-[4-(morpholin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenoxy}acetic acid
Catalog ID
STL438102
SMILES COc1cc(/C=N/Nc2nc(nc(n2)N2CCOCC2)N2CCCC2)ccc1OCC(=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 C21H27N7O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O5/c1-31-17-12-15(4-5-16(17)33-14-18(29)30)13-22-26-19-23-20(27-6-2-3-7-27)25-21(24-19)28-8-10-32-11-9-28/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,29,30)(H,23,24,25,26)/b22-13+InChIKey
TXTCOQKRDYICES-LPYMAVHISA-NSynonyms
(2methoxy4((E)(2(4(morpholin4yl)6(pyrrolidin1yl)135triazin2yl)hydrazinylidene)methyl)phenoxy)aceticacid
2(2methoxy4((E)((4morpholin4yl6pyrrolidin1yl135triazin2yl)hydrazinylidene)methyl)phenoxy)aceticacid
COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCCC4)OCC(=O)O
COc1cc(C=NNc2nc(nc(n2)N2CCOCC2)N2CCCC2)ccc1OCC(=O)O
InChI=1SC21H27N7O5c131171215(4516(17)331418(29)30)132226192320(27623727)2521(2419)288103211928h451213H2361114H21H3(H2930)(H23242526)b2213+
MFCD06244512
ZINC000008694771
ZINC33682179
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