Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK546661
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCC(CC2)C)c2nonc2N)ccc1OCCc1ccccc1

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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 C28H33N9O4 MW 559.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N9O4/c1-19-10-13-36(14-11-19)18-22-25(31-35-37(22)27-26(29)33-41-34-27)28(38)32-30-17-21-8-9-23(24(16-21)39-2)40-15-12-20-6-4-3-5-7-20/h3-9,16-17,19H,10-15,18H2,1-2H3,(H2,29,33)(H,32,38)/b30-17+
InChIKey
AEGKXJBHMARRCU-OCSSWDANSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3methoxy4phenethoxybenzylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3methoxy4(2phenylethoxy)phenyl)methylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3methoxy4(2phenylethoxy)phenyl)methylideneamino)5((4methylpiperidin1yl)methyl)triazole4carboxamide
CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=C(C=C4)OCCC5=CC=CC=C5)OC
COc1cc(C=NNC(=O)c2nnn(c2CN2CCC(CC2)C)c2nonc2N)ccc1OCCc1ccccc1
InChI=1SC28H33N9O4c119101336(141119)182225(313537(22)2726(29)33413427)28(38)323017218923(24(1621)392)401512206435720h39161719H101518H212H3(H22933)(H3238)b3017+
MFCD03302702
ZINC000097966623
ZINC102445363

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Available files

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