Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK545258
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1ccccc1Cl)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 C30H27BrClN9O4 MW 692.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrClN9O4/c1-2-43-25-14-18(13-21(31)27(25)44-17-20-8-3-5-9-22(20)32)15-34-36-30(42)26-24(41(39-35-26)29-28(33)37-45-38-29)16-40-12-11-19-7-4-6-10-23(19)40/h3-10,13-15H,2,11-12,16-17H2,1H3,(H2,33,37)(H,36,42)/b34-15+
InChIKey
YCARQJRBHZVXJI-PUHLOBNQSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3bromo4((2chlorobenzyl)oxy)5ethoxybenzylidene)5(indolin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo4((2chlorobenzyl)oxy)5ethoxyphenyl)methylidene)5(23dihydro1Hindol1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo4((2chlorophenyl)methoxy)5ethoxyphenyl)methylideneamino)5(23dihydroindol1ylmethyl)triazole4carboxamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC5=CC=CC=C54)Br)OCC6=CC=CC=C6Cl
CCOc1cc(C=NNC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1ccccc1Cl)Br
InChI=1SC30H27BrClN9O4c1243251418(1321(31)27(25)441720835922(20)32)15343630(42)2624(41(393526)2928(33)37453829)16401211197461023(19)40h3101315H211121617H21H3(H23337)(H3642)b3415+
MFCD03286310
ZINC000097966593
ZINC150645147

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Available files

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