Vitas-M small molecule compound
6-[(E)-{2-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-2,3-dimethoxybenzoic acid
Catalog ID
STL428221
SMILES COc1c(OC)ccc(c1C(=O)O)/C=N/Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1
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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 C21H27N7O6 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O6/c1-31-15-4-3-14(16(18(29)30)17(15)32-2)13-22-26-19-23-20(27-5-9-33-10-6-27)25-21(24-19)28-7-11-34-12-8-28/h3-4,13H,5-12H2,1-2H3,(H,29,30)(H,23,24,25,26)/b22-13+InChIKey
VKBYRYCARASYFC-LPYMAVHISA-NSynonyms
6((E)((46dimorpholin4yl135triazin2yl)hydrazinylidene)methyl)23dimethoxybenzoicacid
6((E)(2(46di(morpholin4yl)135triazin2yl)hydrazinylidene)methyl)23dimethoxybenzoicacid
COC1=C(C(=C(C=C1)C=NNC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(=O)O)OC
COc1c(OC)ccc(c1C(=O)O)C=NNc1nc(nc(n1)N1CCOCC1)N1CCOCC1
InChI=1SC21H27N7O6c131154314(16(18(29)30)17(15)322)132226192320(27593310627)2521(2419)287113412828h3413H512H212H3(H2930)(H23242526)b2213+
MFCD02109717
ZINC000009310222
ZINC35351146
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