Vitas-M small molecule compound

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

Catalog ID
STK548798
SMILES COc1cccc(c1OCc1ccccc1)/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 C26H29N9O4 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N9O4/c1-37-21-12-8-11-19(23(21)38-17-18-9-4-2-5-10-18)15-28-30-26(36)22-20(16-34-13-6-3-7-14-34)35(33-29-22)25-24(27)31-39-32-25/h2,4-5,8-12,15H,3,6-7,13-14,16-17H2,1H3,(H2,27,31)(H,30,36)/b28-15+
InChIKey
RCGMZQWZLPLIRC-RWPZCVJISA-N
Synonyms
500147-53-5
(E)1(4amino125oxadiazol3yl)N(2(benzyloxy)3methoxybenzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2(benzyloxy)3methoxyphenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3methoxy2phenylmethoxyphenyl)methylideneamino)5(piperidin1ylmethyl)triazole4carboxamide
500147535
COC1=CC=CC(=C1OCC2=CC=CC=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5
COc1cccc(c1OCc1ccccc1)C=NNC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
InChI=1SC26H29N9O4c137211281119(23(21)38171894251018)15283026(36)2220(1634136371434)35(332922)2524(27)31393225h24581215H36713141617H21H3(H22731)(H3036)b2815+
MFCD03304687
ZINC000100903656
ZINC102451702

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Available files

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