Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(3-methylbenzyl)oxy]phenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK547645
SMILES Cc1cccc(c1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

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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 C26H29N9O3 MW 515.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N9O3/c1-18-6-5-7-20(14-18)17-37-21-10-8-19(9-11-21)15-28-30-26(36)23-22(16-34-12-3-2-4-13-34)35(33-29-23)25-24(27)31-38-32-25/h5-11,14-15H,2-4,12-13,16-17H2,1H3,(H2,27,31)(H,30,36)/b28-15+
InChIKey
FIWVAISHBIQYOU-RWPZCVJISA-N
Synonyms
488734-68-5
(E)1(4amino125oxadiazol3yl)N(4((3methylbenzyl)oxy)benzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4((3methylbenzyl)oxy)phenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)5(PIPERIDIN1YLMETHYL)TRIAZOLE4CARBOXAMIDE
488734685
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5
Cc1cccc(c1)COc1ccc(cc1)C=NNC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
InChI=1SC26H29N9O3c11865720(1418)17372110819(91121)15283026(36)2322(1634123241334)35(332923)2524(27)31383225h5111415H2412131617H21H3(H22731)(H3036)b2815+
MFCD03292078
ZINC000002339704
ZINC33361860

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Available files

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