Vitas-M small molecule compound
3-[(2E)-2-{4-[(4-bromobenzyl)oxy]-3-ethoxybenzylidene}hydrazinyl]-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STK691922
SMILES CCOc1cc(/C=N/Nc2nnc(n2N)C)ccc1OCc1ccc(cc1)Br
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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 C19H21BrN6O2 MW 445.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN6O2/c1-3-27-18-10-15(11-22-24-19-25-23-13(2)26(19)21)6-9-17(18)28-12-14-4-7-16(20)8-5-14/h4-11H,3,12,21H2,1-2H3,(H,24,25)/b22-11+InChIKey
NFACVJOZYPKWNB-SSDVNMTOSA-NSynonyms
3((2E)2(4((4bromobenzyl)oxy)3ethoxybenzylidene)hydrazinyl)5methyl4H124triazol4amine
3N((E)(4((4bromophenyl)methoxy)3ethoxyphenyl)methylideneamino)5methyl124triazole34diamine
CCOC1=C(C=CC(=C1)C=NNC2=NN=C(N2N)C)OCC3=CC=C(C=C3)Br
CCOc1cc(C=NNc2nnc(n2N)C)ccc1OCc1ccc(cc1)Br
InChI=1SC19H21BrN6O2c1327181015(11222419252313(2)26(19)21)6917(18)2812144716(20)8514h411H31221H212H3(H2425)b2211+
MFCD10037910
ZINC000015081734
ZINC33636633
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