Vitas-M small molecule compound
4-[(E)-{2-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-2-methoxyphenyl 3-methylbenzoate
Catalog ID
STL428003
SMILES COc1cc(/C=N/Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)ccc1OC(=O)c1cccc(c1)C
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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 C27H31N7O5 MW 533.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N7O5/c1-19-4-3-5-21(16-19)24(35)39-22-7-6-20(17-23(22)36-2)18-28-32-25-29-26(33-8-12-37-13-9-33)31-27(30-25)34-10-14-38-15-11-34/h3-7,16-18H,8-15H2,1-2H3,(H,29,30,31,32)/b28-18+InChIKey
KCSJNOGMBDUYQE-MTDXEUNCSA-NSynonyms
(4((E)((46dimorpholin4yl135triazin2yl)hydrazinylidene)methyl)2methoxyphenyl)3methylbenzoate
4((1E)2((46DIMORPHOLIN4YL(135TRIAZIN2YL))AMINO)2AZAVINYL)2METHOXYPHENYL3METHYLBENZOATE
4((E)(2(46di(morpholin4yl)135triazin2yl)hydrazinylidene)methyl)2methoxyphenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5)OC
COc1cc(C=NNc2nc(nc(n2)N2CCOCC2)N2CCOCC2)ccc1OC(=O)c1cccc(c1)C
InChI=1SC27H31N7O5c11943521(1619)24(35)39227620(1723(22)362)182832252926(338123713933)3127(3025)34101438151134h371618H815H212H3(H29303132)b2818+
MFCD00641824
ZINC000008856897
ZINC103295994
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