Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-tert-butylphenyl)methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK548618
SMILES O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C/c1ccc(cc1)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 C25H27N9O2 MW 485.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N9O2/c1-25(2,3)18-10-8-16(9-11-18)14-27-29-24(35)21-20(34(32-28-21)23-22(26)30-36-31-23)15-33-13-12-17-6-4-5-7-19(17)33/h4-11,14H,12-13,15H2,1-3H3,(H2,26,30)(H,29,35)/b27-14+
InChIKey
ZJZLKCYGFWVDEJ-MZJWZYIUSA-N
Synonyms
497079-62-6
(E)1(4amino125oxadiazol3yl)N(4(tertbutyl)benzylidene)5(indolin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4tertbutylphenyl)methylidene)5(23dihydro1Hindol1ylmethyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(4TERTBUTYLPHENYL)METHYLIDENEAMINO)5(23DIHYDROINDOL1YLMETHYL)TRIAZOLE4CARBOXAMIDE
497079626
CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC5=CC=CC=C54
InChI=1SC25H27N9O2c125(23)1810816(91118)14272924(35)2120(34(322821)2322(26)30363123)1533131217645719(17)33h41114H121315H213H3(H22630)(H2935)b2714+
MFCD03299536
O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)NN=Cc1ccc(cc1)C(C)(C)C
ZINC000002318695
ZINC33360392

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.