Vitas-M small molecule compound
4-{(E)-[(6-tert-butyl-7-oxo[1,2,4]triazolo[4,3-b][1,2,4]triazin-8(7H)-yl)imino]methyl}phenyl 2-methoxybenzoate
Catalog ID
STL265533
SMILES COc1ccccc1C(=O)Oc1ccc(cc1)/C=N/n1c2nncn2nc(c1=O)C(C)(C)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 C23H22N6O4 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O4/c1-23(2,3)19-20(30)29(22-26-24-14-28(22)27-19)25-13-15-9-11-16(12-10-15)33-21(31)17-7-5-6-8-18(17)32-4/h5-14H,1-4H3/b25-13+InChIKey
ZUFAVXBEOQALEO-DHRITJCHSA-NSynonyms
(4((E)(6tertbutyl7oxo(124)triazolo(43b)(124)triazin8yl)iminomethyl)phenyl)2methoxybenzoate
4((E)((6tertbutyl7oxo(124)triazolo(43b)(124)triazin8(7H)yl)imino)methyl)phenyl2methoxybenzoate
CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4OC
COc1ccccc1C(=O)Oc1ccc(cc1)C=Nn1c2nncn2nc(c1=O)C(C)(C)C
InChI=1SC23H22N6O4c123(23)1920(30)29(2226241428(22)2719)25131591116(121015)3321(31)17756818(17)324h514H14H3b2513+
MFCD03459930
ZINC000001418842
ZINC33338139
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