Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK549597
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OCc1cccc2c1cccc2)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 C32H27BrN8O5 MW 683.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN8O5/c1-2-43-27-16-20(15-25(33)29(27)45-18-22-11-8-10-21-9-6-7-14-24(21)22)17-35-37-32(42)28-26(19-44-23-12-4-3-5-13-23)41(40-36-28)31-30(34)38-46-39-31/h3-17H,2,18-19H2,1H3,(H2,34,38)(H,37,42)/b35-17+InChIKey
RSJHANHEEBNULF-XJECJHNESA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5ethoxy4(naphthalen1ylmethoxy)benzylidene)5(phenoxymethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4(naphthalen1ylmethoxy)phenyl)methylidene)5(phenoxymethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4(naphthalen1ylmethoxy)phenyl)methylideneamino)5(phenoxymethyl)triazole4carboxamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=CC=C4)Br)OCC5=CC=CC6=CC=CC=C65
CCOc1cc(C=NNC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OCc1cccc2c1cccc2)Br
InChI=1SC32H27BrN8O5c1243271620(1525(33)29(27)45182211810219671424(21)22)17353732(42)2826(194423124351323)41(403628)3130(34)38463931h317H21819H21H3(H23438)(H3742)b3517+
MFCD03324307
ZINC000097966679
ZINC150651734
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